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

Systemtic Name: 3-methyl-8-[4-(2-methylprop-2-enyl)piperazin-1-yl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[4-(2-methylallyl)piperazin-1-yl]purine-2,6-dione CAS Name: 3-methyl-8-[4-(2-methylprop-2-enyl)-1-piperazinyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[4-(2-methylprop-2-enyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-[4-(2-methylallyl)piperazino]xanthine Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC(=C)CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H26N6O2/c1-15(2)13-25-9-11-26(12-10-25)20-22-18-17(19(28)23-21(29)24(18)3)27(20)14-16-7-5-4-6-8-16/h4-8H,1,9-14H2,2-3H3,(H,23,28,29)