4-(9-ethylcarbazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(9-ethylcarbazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(9-ethylcarbazol-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile CAS Name: 4-(9-ethyl-3-carbazolyl)-6-(4-methyl-1-piperazinyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-(9-ethylcarbazol-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-(9-ethylcarbazol-3-yl)-6-(4-methylpiperazino)pyrimidine-5-carbonitrile Formula: C31H30N6S MolecularWeight: 518.6751

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C(=NC(=N3)SCC4=CC=CC=C4)N5CCN(CC5)C)C#N)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C(=NC(=N3)SCC4=CC=CC=C4)N5CCN(CC5)C)C#N)C6=CC=CC=C61

InChI

InChI=1S/C31H30N6S/c1-3-37-27-12-8-7-11-24(27)25-19-23(13-14-28(25)37)29-26(20-32)30(36-17-15-35(2)16-18-36)34-31(33-29)38-21-22-9-5-4-6-10-22/h4-14,19H,3,15-18,21H2,1-2H3