7-(2-chlorophenyl)-8-piperazin-1-yl-3-propan-2-yl-purine-2,6-dione

Systemtic Name: 7-(2-chlorophenyl)-8-piperazin-1-yl-3-propan-2-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-isopropyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-8-(1-piperazinyl)-3-propan-2-ylpurine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-8-piperazin-1-yl-3-propan-2-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-isopropyl-8-piperazino-xanthine Formula: C18H21ClN6O2 MolecularWeight: 388.85134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)N1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H21ClN6O2/c1-11(2)24-15-14(16(26)22-18(24)27)25(13-6-4-3-5-12(13)19)17(21-15)23-9-7-20-8-10-23/h3-6,11,20H,7-10H2,1-2H3,(H,22,26,27)