7-(2-methoxyphenyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyphenyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-methoxyphenyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-methoxyphenyl)-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyphenyl)-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-methoxyphenyl)-3-methyl-8-piperazino-xanthine Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OC

InChI

InChI=1S/C17H20N6O3/c1-21-14-13(15(24)20-17(21)25)23(11-5-3-4-6-12(11)26-2)16(19-14)22-9-7-18-8-10-22/h3-6,18H,7-10H2,1-2H3,(H,20,24,25)