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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-oxidanylbenzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5/c1-3-4-8-22-15-14(16(24)20-18(22)26)21(2)13(19-15)10-27-17(25)11-6-5-7-12(23)9-11/h5-7,9,23H,3-4,8,10H2,1-2H3,(H,20,24,26)