methyl 4-[[2-azanyl-3-[(4-methoxycarbonylphenyl)methyl]-6-oxidanylidene-purin-7-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-azanyl-3-[(4-methoxycarbonylphenyl)methyl]-6-oxidanylidene-purin-7-yl]methyl]benzoate Openeye Name: methyl 4-[[2-amino-3-[(4-methoxycarbonylphenyl)methyl]-6-oxo-purin-7-yl]methyl]benzoate CAS Name: 4-[[2-amino-3-[(4-methoxycarbonylphenyl)methyl]-6-oxo-7-purinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-amino-3-[(4-methoxycarbonylphenyl)methyl]-6-oxopurin-7-yl]methyl]benzoate Traditional Name: 4-[[2-amino-3-(4-carbomethoxybenzyl)-6-keto-purin-7-yl]methyl]benzoic acid methyl ester Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3CC4=CC=C(C=C4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3CC4=CC=C(C=C4)C(=O)OC)N

InChI

InChI=1S/C23H21N5O5/c1-32-21(30)16-7-3-14(4-8-16)11-27-13-25-19-18(27)20(29)26-23(24)28(19)12-15-5-9-17(10-6-15)22(31)33-2/h3-10,13H,11-12H2,1-2H3,(H2,24,26,29)