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

Systemtic Name: 3-methyl-7-phenacyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-phenacyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-phenacyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-phenacyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-phenacyl-8-piperazino-xanthine Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H20N6O3/c1-22-15-14(16(26)21-18(22)27)24(11-13(25)12-5-3-2-4-6-12)17(20-15)23-9-7-19-8-10-23/h2-6,19H,7-11H2,1H3,(H,21,26,27)