methyl 7-[2-(4-nitrophenyl)ethyl]-2,4-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 7-[2-(4-nitrophenyl)ethyl]-2,4-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 3-(benzyloxymethyl)-7-[2-(4-nitrophenyl)ethyl]-2,4-dioxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylate CAS Name: 7-[2-(4-nitrophenyl)ethyl]-2,4-dioxo-3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 7-[2-(4-nitrophenyl)ethyl]-2,4-dioxo-3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 3-(benzoxymethyl)-2,4-diketo-7-[2-(4-nitrophenyl)ethyl]-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C24H22N4O7 MolecularWeight: 478.45408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=C1C(=O)N(C(=O)N2)COCC3=CC=CC=C3)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(C2=C1C(=O)N(C(=O)N2)COCC3=CC=CC=C3)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O7/c1-34-23(30)19-13-26(12-11-16-7-9-18(10-8-16)28(32)33)21-20(19)22(29)27(24(31)25-21)15-35-14-17-5-3-2-4-6-17/h2-10,13H,11-12,14-15H2,1H3,(H,25,31)