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

Systemtic Name: [1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl butanoate Openeye Name: (3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)methyl butanoate CAS Name: butanoic acid [1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]methyl ester IUPAC Name: [1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]methyl butanoate Traditional Name: butyric acid (3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)methyl ester Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CCCC(=O)OCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C15H22N4O4/c1-5-6-11(20)23-9-18-8-16-13-12(18)14(21)17(4)15(22)19(13)7-10(2)3/h8,10H,5-7,9H2,1-4H3