1,3-dimethyl-2,4-bis(oxidanylidene)-6-[4-(2-phenylsulfanylethyl)piperazin-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 1,3-dimethyl-2,4-bis(oxidanylidene)-6-[4-(2-phenylsulfanylethyl)piperazin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 1,3-dimethyl-2,4-dioxo-6-[4-(2-phenylsulfanylethyl)piperazin-1-yl]pyrimidine-5-carbonitrile CAS Name: 1,3-dimethyl-2,4-dioxo-6-[4-[2-(phenylthio)ethyl]-1-piperazinyl]-5-pyrimidinecarbonitrile IUPAC Name: 1,3-dimethyl-2,4-dioxo-6-[4-(2-phenylsulfanylethyl)piperazin-1-yl]pyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-1,3-dimethyl-6-[4-[2-(phenylthio)ethyl]piperazino]pyrimidine-5-carbonitrile Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCN(CC2)CCSC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCN(CC2)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O2S/c1-21-17(16(14-20)18(25)22(2)19(21)26)24-10-8-23(9-11-24)12-13-27-15-6-4-3-5-7-15/h3-7H,8-13H2,1-2H3