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

Systemtic Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[4-(3-chlorophenyl)piperazino]-3-methyl-xanthine Formula: C19H21ClN6O2 MolecularWeight: 400.86204

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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)Cl)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN6O2/c1-3-7-26-15-16(23(2)19(28)22-17(15)27)21-18(26)25-10-8-24(9-11-25)14-6-4-5-13(20)12-14/h3-6,12H,1,7-11H2,2H3,(H,22,27,28)