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

Systemtic Name: methyl 1-(methylsulfanylmethyl)-7-[2-(4-nitrophenyl)ethyl]-2,4-bis(oxidanylidene)-3-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 3-(benzyloxymethyl)-1-(methylsulfanylmethyl)-7-[2-(4-nitrophenyl)ethyl]-2,4-dioxo-pyrrolo[2,3-d]pyrimidine-5-carboxylate CAS Name: 1-[(methylthio)methyl]-7-[2-(4-nitrophenyl)ethyl]-2,4-dioxo-3-(phenylmethoxymethyl)-5-pyrrolo[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(methylsulfanylmethyl)-7-[2-(4-nitrophenyl)ethyl]-2,4-dioxo-3-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 3-(benzoxymethyl)-2,4-diketo-1-[(methylthio)methyl]-7-[2-(4-nitrophenyl)ethyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C26H26N4O7S MolecularWeight: 538.57224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=C1C(=O)N(C(=O)N2CSC)COCC3=CC=CC=C3)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(C2=C1C(=O)N(C(=O)N2CSC)COCC3=CC=CC=C3)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O7S/c1-36-25(32)21-14-27(13-12-18-8-10-20(11-9-18)30(34)35)23-22(21)24(31)28(26(33)29(23)17-38-2)16-37-15-19-6-4-3-5-7-19/h3-11,14H,12-13,15-17H2,1-2H3