4-[2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]-N-methyl-benzamide Formula: C17H17ClN6O4 MolecularWeight: 404.80768

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C17H17ClN6O4/c1-19-14(26)9-4-6-10(7-5-9)20-11(25)8-24-12-13(21-16(24)18)22(2)17(28)23(3)15(12)27/h4-7H,8H2,1-3H3,(H,19,26)(H,20,25)