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

Systemtic Name: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-8-(4-phenyl-1-piperazinyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C19H22N6O2/c1-3-9-25-15-16(22(2)19(27)21-17(15)26)20-18(25)24-12-10-23(11-13-24)14-7-5-4-6-8-14/h3-8H,1,9-13H2,2H3,(H,21,26,27)