Name: Name:5-ethyl-6-methyl-2-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one
Brand: Angene
SKU: AG019IWY
Rating: 90 (10 reviews)

5-ethyl-6-methyl-2-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS No.:

735288-62-7

Catalog Number:

AG019IWY

Molecular Formula:

C15H19N3O3S

Molecular Weight:

321.3947

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Product Description

Catalog Number:

AG019IWY

Chemical Name:

5-ethyl-6-methyl-2-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS Number:

735288-62-7

Molecular Formula:

C15H19N3O3S

Molecular Weight:

321.3947

MDL Number:

MFCD04636923

IUPAC Name:

5-ethyl-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3H-thieno[2,3-d]pyrimidin-4-one

InChI:

InChI=1S/C15H19N3O3S/c1-3-10-9(2)22-15-13(10)14(20)16-11(17-15)8-12(19)18-4-6-21-7-5-18/h3-8H2,1-2H3,(H,16,17,20)

InChI Key:

ZCGDGVFVMGIULV-UHFFFAOYSA-N

SMILES:

CCc1c(C)sc2c1c(=O)[nH]c(n2)CC(=O)N1CCOCC1

Properties

Complexity:

490

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.395g/mol

Monoisotopic Mass:

321.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101