4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenethyl-N-(phenylmethyl)butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenethyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-phenethyl-butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-phenethyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenethylbutanamide Traditional Name: N-benzyl-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-phenethyl-butyramide Formula: C26H29N5O3 MolecularWeight: 459.54016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O3/c1-28-24-23(25(33)29(2)26(28)34)31(19-27-24)16-9-14-22(32)30(18-21-12-7-4-8-13-21)17-15-20-10-5-3-6-11-20/h3-8,10-13,19H,9,14-18H2,1-2H3