Name: Name:1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylicacid, 2,3,4,7-tetrahydro-1,3-dimethyl-2,4-dioxo-7-(phenylmethyl)-
Brand: Angene
SKU: AG007UHH
Rating: 90 (10 reviews)

1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylicacid, 2,3,4,7-tetrahydro-1,3-dimethyl-2,4-dioxo-7-(phenylmethyl)-

CAS No.:

1086386-28-8

Catalog Number:

AG007UHH

Molecular Formula:

C16H15N3O4

Molecular Weight:

313.3080

Catalog Number:

AG007UHH

Chemical Name:

1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylicacid, 2,3,4,7-tetrahydro-1,3-dimethyl-2,4-dioxo-7-(phenylmethyl)-

CAS Number:

1086386-28-8

Molecular Formula:

C16H15N3O4

Molecular Weight:

313.3080

MDL Number:

MFCD11655626

IUPAC Name:

7-benzyl-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid

InChI:

InChI=1S/C16H15N3O4/c1-17-13-11(14(20)18(2)16(17)23)8-12(15(21)22)19(13)9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,21,22)

InChI Key:

SVWLLUUJATVFFE-UHFFFAOYSA-N

SMILES:

O=c1n(C)c2n(Cc3ccccc3)c(cc2c(=O)n1C)C(=O)O

Complexity:

518

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

313.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

313.313g/mol

Monoisotopic Mass:

313.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3