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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2,2-diphenylethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)CCC

InChI

InChI=1S/C27H30N4O4/c1-3-5-17-31-24-23(25(32)29-27(31)34)30(16-4-2)21(28-24)18-35-26(33)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22H,3-5,16-18H2,1-2H3,(H,29,32,34)