3-methyl-7-(phenylmethyl)-8-piperazin-1-yl-1-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-piperazin-1-yl-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-piperazin-1-yl-1-propyl-purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-(1-piperazinyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-piperazin-1-yl-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-piperazino-1-propyl-xanthine Formula: C20H26N6O2 MolecularWeight: 382.45944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCNCC4)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCNCC4)N(C1=O)C

InChI

InChI=1S/C20H26N6O2/c1-3-11-25-18(27)16-17(23(2)20(25)28)22-19(24-12-9-21-10-13-24)26(16)14-15-7-5-4-6-8-15/h4-8,21H,3,9-14H2,1-2H3