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

Systemtic Name: 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dimethyl-8-propoxy-purine-2,6-dione Openeye Name: 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dimethyl-8-propoxy-purine-2,6-dione CAS Name: 7-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-1,3-dimethyl-8-propoxypurine-2,6-dione IUPAC Name: 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dimethyl-8-propoxypurine-2,6-dione Traditional Name: 7-[4-[4-(2-methoxyphenyl)piperazino]butyl]-1,3-dimethyl-8-propoxy-xanthine Formula: C25H36N6O4 MolecularWeight: 484.59114

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(N1CCCCN3CCN(CC3)C4=CC=CC=C4OC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCOC1=NC2=C(N1CCCCN3CCN(CC3)C4=CC=CC=C4OC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C25H36N6O4/c1-5-18-35-24-26-22-21(23(32)28(3)25(33)27(22)2)31(24)13-9-8-12-29-14-16-30(17-15-29)19-10-6-7-11-20(19)34-4/h6-7,10-11H,5,8-9,12-18H2,1-4H3