4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-7,8-dimethoxy-5H-pyrimid[5,4-b]indole Formula: C24H27N5O2 MolecularWeight: 417.50348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC=NC4=C3NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC=NC4=C3NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C24H27N5O2/c1-15-5-6-16(2)19(11-15)28-7-9-29(10-8-28)24-23-22(25-14-26-24)17-12-20(30-3)21(31-4)13-18(17)27-23/h5-6,11-14,27H,7-10H2,1-4H3