2,4-bis(2-hydroxyethylamino)-6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]pyrimidine-5-carbonitrile CAS Name: 2,4-bis(2-hydroxyethylamino)-6-[4-[2-(methylthio)phenyl]-1-piperazinyl]-5-pyrimidinecarbonitrile IUPAC Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]pyrimidine-5-carbonitrile Traditional Name: 2,4-bis(2-hydroxyethylamino)-6-[4-[2-(methylthio)phenyl]piperazino]pyrimidine-5-carbonitrile Formula: C20H27N7O2S MolecularWeight: 429.53908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

InChI

InChI=1S/C20H27N7O2S/c1-30-17-5-3-2-4-16(17)26-8-10-27(11-9-26)19-15(14-21)18(22-6-12-28)24-20(25-19)23-7-13-29/h2-5,28-29H,6-13H2,1H3,(H2,22,23,24,25)