2,4-bis[(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl]-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2,4-bis[(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl]-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 4-benzylsulfanyl-2,6-bis[(2-morpholino-2-oxo-ethyl)sulfanyl]pyrimidine-5-carbonitrile CAS Name: 2,4-bis[[2-(4-morpholinyl)-2-oxoethyl]thio]-6-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-benzylsulfanyl-2,6-bis[(2-morpholin-4-yl-2-oxoethyl)sulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-(benzylthio)-2,6-bis[(2-keto-2-morpholino-ethyl)thio]pyrimidine-5-carbonitrile Formula: C24H27N5O4S3 MolecularWeight: 545.69728

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC(=NC(=C2C#N)SCC3=CC=CC=C3)SCC(=O)N4CCOCC4

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC(=NC(=C2C#N)SCC3=CC=CC=C3)SCC(=O)N4CCOCC4

InChI

InChI=1S/C24H27N5O4S3/c25-14-19-22(34-15-18-4-2-1-3-5-18)26-24(36-17-21(31)29-8-12-33-13-9-29)27-23(19)35-16-20(30)28-6-10-32-11-7-28/h1-5H,6-13,15-17H2