[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-methylpropanoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-methylpropanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C)C)C

InChI

InChI=1S/C15H22N4O4/c1-5-6-7-19-12-11(13(20)17-15(19)22)18(4)10(16-12)8-23-14(21)9(2)3/h9H,5-8H2,1-4H3,(H,17,20,22)