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

Systemtic Name: [1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl heptanoate Openeye Name: (3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)methyl heptanoate CAS Name: heptanoic 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 heptanoate Traditional Name: enanthic acid (3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)methyl ester Formula: C18H28N4O4 MolecularWeight: 364.43932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4/c1-5-6-7-8-9-14(23)26-12-21-11-19-16-15(21)17(24)20(4)18(25)22(16)10-13(2)3/h11,13H,5-10,12H2,1-4H3