8-(3,5-dimethylpiperazin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperazin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3,5-dimethylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperazinyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3,5-dimethylpiperazino)-1,3-dimethyl-xanthine Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CN(CC(N1)C)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H26N6O2/c1-13-10-25(11-14(2)21-13)19-22-17-16(18(27)24(4)20(28)23(17)3)26(19)12-15-8-6-5-7-9-15/h5-9,13-14,21H,10-12H2,1-4H3