N-(3-chloranyl-4-methyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxo-9-purinyl)acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-(2,6-diketo-1,3-dimethyl-purin-9-yl)acetamide Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C)Cl

InChI

InChI=1S/C16H16ClN5O3/c1-9-4-5-10(6-11(9)17)19-12(23)7-22-8-18-13-14(22)20(2)16(25)21(3)15(13)24/h4-6,8H,7H2,1-3H3,(H,19,23)