7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C23H23ClN6O2 MolecularWeight: 450.92072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C23H23ClN6O2/c1-27-20-19(21(31)26-23(27)32)30(15-16-7-5-6-10-18(16)24)22(25-20)29-13-11-28(12-14-29)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,26,31,32)