[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-methanoylbenzoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-methanoylbenzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)C=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)C=O)C

InChI

InChI=1S/C19H20N4O5/c1-3-4-9-23-16-15(17(25)21-19(23)27)22(2)14(20-16)11-28-18(26)13-7-5-12(10-24)6-8-13/h5-8,10H,3-4,9,11H2,1-2H3,(H,21,25,27)