methyl 2-azanyl-7-methyl-4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 2-azanyl-7-methyl-4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 2-amino-3-benzyl-7-methyl-4-oxo-pyrrolo[2,3-d]pyrimidine-5-carboxylate CAS Name: 2-amino-7-methyl-4-oxo-3-(phenylmethyl)-5-pyrrolo[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-3-benzyl-7-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 2-amino-3-benzyl-4-keto-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1N=C(N(C2=O)CC3=CC=CC=C3)N)C(=O)OC

Isomeric SMILES

CN1C=C(C2=C1N=C(N(C2=O)CC3=CC=CC=C3)N)C(=O)OC

InChI

InChI=1S/C16H16N4O3/c1-19-9-11(15(22)23-2)12-13(19)18-16(17)20(14(12)21)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,17,18)