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

Systemtic Name: methyl 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoate Openeye Name: methyl 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanoate CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoate Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionic acid methyl ester Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)OC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)OC)CC(C)C

InChI

InChI=1S/C17H26N4O4/c1-5-6-9-20-15-14(16(23)19-17(20)24)21(10-11(2)3)12(18-15)7-8-13(22)25-4/h11H,5-10H2,1-4H3,(H,19,23,24)