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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C18H20ClN5O4 MolecularWeight: 405.8355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H20ClN5O4/c1-10-7-12(13(28-4)8-11(10)19)21-14(25)5-6-24-9-20-16-15(24)17(26)23(3)18(27)22(16)2/h7-9H,5-6H2,1-4H3,(H,21,25)