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

Systemtic Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-[(2-methylphenyl)methyl]piperazin-1-yl]purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-(o-tolylmethyl)piperazin-1-yl]purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-[(2-methylphenyl)methyl]-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-[(2-methylphenyl)methyl]piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-(2-methylbenzyl)piperazino]xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4C)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4C)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H30N6O3/c1-4-31-14-13-28-18-19(25(3)22(30)24-20(18)29)23-21(28)27-11-9-26(10-12-27)15-17-8-6-5-7-16(17)2/h5-8H,4,9-15H2,1-3H3,(H,24,29,30)