2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-methyl-amino]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-methyl-amino]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl-methyl-amino]-N-(2-ethylphenyl)acetamide CAS Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl-methylamino]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl-methyl-amino]-N-(2-ethylphenyl)acetamide Formula: C23H32N6O3 MolecularWeight: 440.53858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC(=O)NC3=CC=CC=C3CC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC(=O)NC3=CC=CC=C3CC)CC

InChI

InChI=1S/C23H32N6O3/c1-5-8-13-29-21-20(22(31)26-23(29)32)28(7-3)18(25-21)14-27(4)15-19(30)24-17-12-10-9-11-16(17)6-2/h9-12H,5-8,13-15H2,1-4H3,(H,24,30)(H,26,31,32)