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

Systemtic Name: 3-methyl-8-[4-(3-phenylpropyl)piperazin-1-yl]-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-[4-(3-phenylpropyl)piperazin-1-yl]-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-[4-(3-phenylpropyl)-1-piperazinyl]-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-[4-(3-phenylpropyl)piperazin-1-yl]-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-[4-(3-phenylpropyl)piperazino]-7-propyl-xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCN(CC3)CCCC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CCN(CC3)CCCC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H30N6O2/c1-3-11-28-18-19(25(2)22(30)24-20(18)29)23-21(28)27-15-13-26(14-16-27)12-7-10-17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-16H2,1-2H3,(H,24,29,30)