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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[4-(2-methylprop-2-enyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 3-methyl-8-[4-(2-methylallyl)piperazin-1-yl]-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[4-(2-methylprop-2-enyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[4-(2-methylprop-2-enyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 3-methyl-8-[4-(2-methylallyl)piperazino]-7-(3-methylbenzyl)xanthine Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)CC(=C)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)CC(=C)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C22H28N6O2/c1-15(2)13-26-8-10-27(11-9-26)21-23-19-18(20(29)24-22(30)25(19)4)28(21)14-17-7-5-6-16(3)12-17/h5-7,12H,1,8-11,13-14H2,2-4H3,(H,24,29,30)