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

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-p-anisyl-8-piperazino-xanthine Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C19H24N6O3/c1-22-16-15(17(26)23(2)19(22)27)25(12-13-4-6-14(28-3)7-5-13)18(21-16)24-10-8-20-9-11-24/h4-7,20H,8-12H2,1-3H3