7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-8-propoxy-purine-2,6-dione

Systemtic Name: 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-8-propoxy-purine-2,6-dione Openeye Name: 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-8-propoxy-purine-2,6-dione CAS Name: 7-[4-[4-(3-chlorophenyl)-1-piperazinyl]butyl]-1,3-dimethyl-8-propoxypurine-2,6-dione IUPAC Name: 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-8-propoxypurine-2,6-dione Traditional Name: 7-[4-[4-(3-chlorophenyl)piperazino]butyl]-1,3-dimethyl-8-propoxy-xanthine Formula: C24H33ClN6O3 MolecularWeight: 489.01022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(N1CCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCOC1=NC2=C(N1CCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C24H33ClN6O3/c1-4-16-34-23-26-21-20(22(32)28(3)24(33)27(21)2)31(23)11-6-5-10-29-12-14-30(15-13-29)19-9-7-8-18(25)17-19/h7-9,17H,4-6,10-16H2,1-3H3