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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C17H18ClN5O4 MolecularWeight: 391.80892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C17H18ClN5O4/c1-21-15-14(16(25)22(2)17(21)26)23(9-19-15)7-6-13(24)20-11-8-10(18)4-5-12(11)27-3/h4-5,8-9H,6-7H2,1-3H3,(H,20,24)