N-(2-butoxy-5-methoxy-phenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide

Systemtic Name: N-(2-butoxy-5-methoxy-phenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(2-butoxy-5-methoxy-phenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(2-butoxy-5-methoxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(2-butoxy-5-methoxyphenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(2-butoxy-5-methoxy-phenyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C22H29N5O5 MolecularWeight: 443.49616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)OC)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)OC)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H29N5O5/c1-5-6-12-32-17-10-9-15(31-4)13-16(17)24-18(28)8-7-11-27-14-23-20-19(27)21(29)26(3)22(30)25(20)2/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,24,28)