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

Systemtic Name: 7-(2-chlorophenyl)-3-(cyclopropylmethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-(cyclopropylmethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(cyclopropylmethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(cyclopropylmethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-(cyclopropylmethyl)-8-piperazino-xanthine Formula: C19H21ClN6O2 MolecularWeight: 400.86204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl

Isomeric SMILES

C1CC1CN2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C19H21ClN6O2/c20-13-3-1-2-4-14(13)26-15-16(22-18(26)24-9-7-21-8-10-24)25(11-12-5-6-12)19(28)23-17(15)27/h1-4,12,21H,5-11H2,(H,23,27,28)