8-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-(3-methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-(3-methoxyphenyl)piperazino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3/c1-21-15-14(16(25)22(2)18(21)26)19-17(20-15)24-9-7-23(8-10-24)12-5-4-6-13(11-12)27-3/h4-6,11H,7-10H2,1-3H3,(H,19,20)