7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxamide

Systemtic Name: 7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxamide Openeye Name: 7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-yl-purine-3-carboxamide CAS Name: 7-(2-chlorophenyl)-2,6-dioxo-8-(1-piperazinyl)-3-purinecarboxamide IUPAC Name: 7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-ylpurine-3-carboxamide Traditional Name: 7-(2-chlorophenyl)-2,6-diketo-8-piperazino-purine-3-carboxamide Formula: C16H16ClN7O3 MolecularWeight: 389.79634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C(=O)N

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C(=O)N

InChI

InChI=1S/C16H16ClN7O3/c17-9-3-1-2-4-10(9)23-11-12(20-15(23)22-7-5-19-6-8-22)24(14(18)26)16(27)21-13(11)25/h1-4,19H,5-8H2,(H2,18,26)(H,21,25,27)