2-[7-cyclohexyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanenitrile

Systemtic Name: 2-[7-cyclohexyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanenitrile Openeye Name: 2-(7-cyclohexyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetonitrile CAS Name: 2-[(7-cyclohexyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(7-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetonitrile Traditional Name: 2-[(7-cyclohexyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetonitrile Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCCC3)SCC#N)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCCC3)SCC#N)C(=O)N(C1=O)C

InChI

InChI=1S/C16H19N5O2S/c1-20-13-11(15(22)21(2)16(20)23)14(24-9-8-17)19-12(18-13)10-6-4-3-5-7-10/h10H,3-7,9H2,1-2H3