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

Systemtic Name: [1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl octanoate Openeye Name: (3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)methyl octanoate CAS Name: octanoic 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 octanoate Traditional Name: caprylic acid (3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)methyl ester Formula: C19H30N4O4 MolecularWeight: 378.4659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4/c1-5-6-7-8-9-10-15(24)27-13-22-12-20-17-16(22)18(25)21(4)19(26)23(17)11-14(2)3/h12,14H,5-11,13H2,1-4H3