1-heptyl-6-methylsulfanyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 1-heptyl-6-methylsulfanyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 1-heptyl-6-methylsulfanyl-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 1-heptyl-6-(methylthio)-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 1-heptyl-6-methylsulfanyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 1-heptyl-2,4-diketo-6-(methylthio)pyrimidine-5-carbonitrile Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=C(C(=O)NC1=O)C#N)SC

Isomeric SMILES

CCCCCCCN1C(=C(C(=O)NC1=O)C#N)SC

InChI

InChI=1S/C13H19N3O2S/c1-3-4-5-6-7-8-16-12(19-2)10(9-14)11(17)15-13(16)18/h3-8H2,1-2H3,(H,15,17,18)