[[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] butanoate

Systemtic Name: [[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] butanoate Openeye Name: [(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] butanoate CAS Name: butanoic acid [[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]-phenylmethyl] ester IUPAC Name: [[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]-phenylmethyl] butanoate Traditional Name: butyric acid [(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)-phenyl-methyl] ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3CC(C)C)C

Isomeric SMILES

CCCC(=O)OC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3CC(C)C)C

InChI

InChI=1S/C21H26N4O4/c1-5-9-16(26)29-20(15-10-7-6-8-11-15)25-13-22-18-17(25)19(27)23(4)21(28)24(18)12-14(2)3/h6-8,10-11,13-14,20H,5,9,12H2,1-4H3