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

Systemtic Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[[4-(3-chlorophenyl)piperazino]methyl]-3-methyl-7-propyl-xanthine Formula: C20H25ClN6O2 MolecularWeight: 416.9045

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H25ClN6O2/c1-3-7-27-16(22-18-17(27)19(28)23-20(29)24(18)2)13-25-8-10-26(11-9-25)15-6-4-5-14(21)12-15/h4-6,12H,3,7-11,13H2,1-2H3,(H,23,28,29)