1,3-dimethyl-7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[4-(o-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[4-(2-methylbenzyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H26N6O3/c1-15-6-4-5-7-16(15)12-25-8-10-26(11-9-25)17(28)13-27-14-22-19-18(27)20(29)24(3)21(30)23(19)2/h4-7,14H,8-13H2,1-3H3