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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C19H22ClN5O4 MolecularWeight: 419.86208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H22ClN5O4/c1-11-8-13(14(29-4)9-12(11)20)22-15(26)6-5-7-25-10-21-17-16(25)18(27)24(3)19(28)23(17)2/h8-10H,5-7H2,1-4H3,(H,22,26)