N-(2-chlorophenyl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide

Systemtic Name: N-(2-chlorophenyl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(2-chlorophenyl)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C16H16ClN5O3/c1-20-14-13(15(24)21(2)16(20)25)22(9-18-14)8-7-12(23)19-11-6-4-3-5-10(11)17/h3-6,9H,7-8H2,1-2H3,(H,19,23)