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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazino]-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H28N6O3/c1-15(2)14-28-18-19(24(3)22(30)25(4)20(18)29)23-21(28)27-12-10-26(11-13-27)16-6-8-17(31-5)9-7-16/h6-9H,1,10-14H2,2-5H3