Name: Name:3-methyl-7-(propan-2-yl)-1-propyl-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
Brand: Angene
SKU: AG019ISK
Rating: 90 (10 reviews)

3-methyl-7-(propan-2-yl)-1-propyl-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

CAS No.:

851169-26-1

Catalog Number:

AG019ISK

Molecular Formula:

C13H18N4O2S

Molecular Weight:

294.3726

Catalog Number:

AG019ISK

Chemical Name:

3-methyl-7-(propan-2-yl)-1-propyl-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

CAS Number:

851169-26-1

Molecular Formula:

C13H18N4O2S

Molecular Weight:

294.3726

MDL Number:

MFCD06654971

IUPAC Name:

3-methyl-7-propan-2-yl-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

InChI:

InChI=1S/C13H18N4O2S/c1-5-6-17-10-8(12(18)16(4)13(17)19)11(20)15-9(14-10)7(2)3/h7H,5-6H2,1-4H3,(H,14,15,20)

InChI Key:

ZCABBZHPDLKAAH-UHFFFAOYSA-N

SMILES:

CCCn1c2nc(nc(c2c(=O)n(c1=O)C)S)C(C)C

Complexity:

551

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

294.373g/mol

Monoisotopic Mass:

294.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1