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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H30N6O2/c1-16(2)10-11-28-18-19(24(3)22(30)25(4)20(18)29)23-21(28)27-14-12-26(13-15-27)17-8-6-5-7-9-17/h5-9,16H,10-15H2,1-4H3