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

Systemtic Name: 4-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-N-phenyl-benzamide CAS Name: 4-[(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-N-phenylbenzamide IUPAC Name: 4-[(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-N-phenylbenzamide Traditional Name: 4-[(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-N-phenyl-benzamide Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5O3/c1-25-17-16(19(29)26(2)21(25)30)27(20(22)24-17)12-13-8-10-14(11-9-13)18(28)23-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,28)