4-[4-(4-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-5H-pyrimid[5,4-b]indole Formula: C21H21N5O MolecularWeight: 359.42434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3NC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3NC5=CC=CC=C54

InChI

InChI=1S/C21H21N5O/c1-27-16-8-6-15(7-9-16)25-10-12-26(13-11-25)21-20-19(22-14-23-21)17-4-2-3-5-18(17)24-20/h2-9,14,24H,10-13H2,1H3