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

Systemtic Name: [1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl propanoate Openeye Name: (3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)methyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid (3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)methyl ester Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4/c1-5-10(19)22-8-17-7-15-12-11(17)13(20)16(4)14(21)18(12)6-9(2)3/h7,9H,5-6,8H2,1-4H3