2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(2,4-diketo-1H-pyrimidin-6-yl)methylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC3=CC(=O)NC(=O)N3)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC3=CC(=O)NC(=O)N3)C#N

InChI

InChI=1S/C15H14N4O2S/c16-7-10-5-9-3-1-2-4-12(9)18-14(10)22-8-11-6-13(20)19-15(21)17-11/h5-6H,1-4,8H2,(H2,17,19,20,21)