7-bromanyl-8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1,3-dimethyl-6,9,9a,10-tetrahydropurino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 7-bromanyl-8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1,3-dimethyl-6,9,9a,10-tetrahydropurino[7,8-a]pyrimidine-2,4-dione Openeye Name: 7-bromo-8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1,3-dimethyl-6,9,9a,10-tetrahydropurino[7,8-a]pyrimidine-2,4-dione CAS Name: 7-bromo-8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethylamino]-1,3-dimethyl-6,9,9a,10-tetrahydropurino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 7-bromo-8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1,3-dimethyl-6,9,9a,10-tetrahydropurino[7,8-a]pyrimidine-2,4-dione Traditional Name: 7-bromo-8-[2-[4-(2-methoxyphenyl)piperazino]ethylamino]-1,3-dimethyl-6,9,9a,10-tetrahydropurino[7,8-a]pyrimidine-2,4-quinone Formula: C23H31BrN8O3 MolecularWeight: 547.44804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3CC(=C(NC3N2)NCCN4CCN(CC4)C5=CC=CC=C5OC)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3CC(=C(NC3N2)NCCN4CCN(CC4)C5=CC=CC=C5OC)Br

InChI

InChI=1S/C23H31BrN8O3/c1-28-20-18(21(33)29(2)23(28)34)32-14-15(24)19(26-22(32)27-20)25-8-9-30-10-12-31(13-11-30)16-6-4-5-7-17(16)35-3/h4-7,22,25-27H,8-14H2,1-3H3