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

Systemtic Name: methyl 2-azanyl-4-oxidanylidene-3-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 2-amino-3-benzyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate CAS Name: 2-amino-4-oxo-3-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-3-benzyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 2-amino-3-benzyl-4-keto-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC2=C1C(=O)N(C(=N2)N)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CNC2=C1C(=O)N(C(=N2)N)CC3=CC=CC=C3

InChI

InChI=1S/C15H14N4O3/c1-22-14(21)10-7-17-12-11(10)13(20)19(15(16)18-12)8-9-5-3-2-4-6-9/h2-7,17H,8H2,1H3,(H2,16,18)