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

Systemtic Name: 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-phenyl-1-piperazinyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(4-phenylpiperazino)xanthine Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C20H24N6O2/c1-4-10-26-16-17(22(2)20(28)23(3)18(16)27)21-19(26)25-13-11-24(12-14-25)15-8-6-5-7-9-15/h4-9H,1,10-14H2,2-3H3