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

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1-piperazinyl)methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[(4-methylpiperazino)methyl]xanthine Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H26N6O2/c1-22-9-11-25(12-10-22)14-16-21-18-17(19(27)24(3)20(28)23(18)2)26(16)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3