4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 4-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 4-[(3S)-3-methyl-4-(m-tolyl)piperazino]-5H-pyrimid[5,4-b]indole Formula: C22H23N5 MolecularWeight: 357.45152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=NC=NC4=C3NC5=CC=CC=C54

Isomeric SMILES

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)C3=NC=NC4=C3NC5=CC=CC=C54

InChI

InChI=1S/C22H23N5/c1-15-6-5-7-17(12-15)27-11-10-26(13-16(27)2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14,16,25H,10-11,13H2,1-2H3/t16-/m0/s1