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

Systemtic Name: 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(2,4-dimethylphenyl)-1-piperazinyl]-7-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(2,4-dimethylphenyl)piperazino]-7-methoxy-5H-pyrimid[5,4-b]indole Formula: C23H25N5O MolecularWeight: 387.4775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3NC5=C4C=CC(=C5)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3NC5=C4C=CC(=C5)OC)C

InChI

InChI=1S/C23H25N5O/c1-15-4-7-20(16(2)12-15)27-8-10-28(11-9-27)23-22-21(24-14-25-23)18-6-5-17(29-3)13-19(18)26-22/h4-7,12-14,26H,8-11H2,1-3H3