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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(4-isopropylphenyl)-(2-thienyl)methyl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[p-cumenyl(2-thienyl)methyl]butyramide Formula: C25H29N5O3S MolecularWeight: 479.59446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C25H29N5O3S/c1-16(2)17-9-11-18(12-10-17)21(19-7-6-14-34-19)27-20(31)8-5-13-30-15-26-23-22(30)24(32)29(4)25(33)28(23)3/h6-7,9-12,14-16,21H,5,8,13H2,1-4H3,(H,27,31)