3,7-dimethyl-1-phenacyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-phenacyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3,7-dimethyl-1-phenacyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-phenacyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-phenacyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3,7-dimethyl-1-phenacyl-8-piperazino-xanthine Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C19H22N6O3/c1-22-15-16(21-18(22)24-10-8-20-9-11-24)23(2)19(28)25(17(15)27)12-14(26)13-6-4-3-5-7-13/h3-7,20H,8-12H2,1-2H3