1,3-dimethyl-7-pentyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-pentyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-pentyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-pentyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-pentyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-amyl-1,3-dimethyl-8-(4-phenylpiperazino)xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H30N6O2/c1-4-5-9-12-28-18-19(24(2)22(30)25(3)20(18)29)23-21(28)27-15-13-26(14-16-27)17-10-7-6-8-11-17/h6-8,10-11H,4-5,9,12-16H2,1-3H3