N-(5-tert-butyl-2-methoxy-phenyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(5-tert-butyl-2-methoxy-phenyl)propanamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(5-tert-butyl-2-methoxy-phenyl)propionamide Formula: C27H39N5O4 MolecularWeight: 497.62966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC)CC(C)C

InChI

InChI=1S/C27H39N5O4/c1-8-9-14-31-24-23(25(34)30-26(31)35)32(16-17(2)3)21(29-24)12-13-22(33)28-19-15-18(27(4,5)6)10-11-20(19)36-7/h10-11,15,17H,8-9,12-14,16H2,1-7H3,(H,28,33)(H,30,34,35)