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

Systemtic Name: 8-ethoxy-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 8-ethoxy-4-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 8-ethoxy-4-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-ethoxy-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 8-ethoxy-4-[(3S)-3-methyl-4-(m-tolyl)piperazino]-5H-pyrimid[5,4-b]indole Formula: C24H27N5O MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(C(C4)C)C5=CC=CC(=C5)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN([C@H](C4)C)C5=CC=CC(=C5)C

InChI

InChI=1S/C24H27N5O/c1-4-30-19-8-9-21-20(13-19)22-23(27-21)24(26-15-25-22)28-10-11-29(17(3)14-28)18-7-5-6-16(2)12-18/h5-9,12-13,15,17,27H,4,10-11,14H2,1-3H3/t17-/m0/s1