4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-propan-2-yloxyphenyl)methyl]butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(4-isopropoxyphenyl)methyl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-isopropoxybenzyl)butyramide Formula: C21H27N5O4 MolecularWeight: 413.47018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O4/c1-14(2)30-16-9-7-15(8-10-16)12-22-17(27)6-5-11-26-13-23-19-18(26)20(28)25(4)21(29)24(19)3/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,27)