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

Systemtic Name: 8-ethoxy-4-[(3S)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 8-ethoxy-4-[(3S)-4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 8-ethoxy-4-[(3S)-4-(4-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-ethoxy-4-[(3S)-4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 8-ethoxy-4-[(3S)-4-(4-methoxyphenyl)-3-methyl-piperazino]-5H-pyrimid[5,4-b]indole Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2/c1-4-31-19-9-10-21-20(13-19)22-23(27-21)24(26-15-25-22)28-11-12-29(16(2)14-28)17-5-7-18(30-3)8-6-17/h5-10,13,15-16,27H,4,11-12,14H2,1-3H3/t16-/m0/s1