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

Systemtic Name: 2-[7-cyclopentyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanenitrile Openeye Name: 2-(7-cyclopentyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetonitrile CAS Name: 2-[(7-cyclopentyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(7-cyclopentyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetonitrile Traditional Name: 2-[(7-cyclopentyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetonitrile Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC#N)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC#N)C(=O)N(C1=O)C

InChI

InChI=1S/C15H17N5O2S/c1-19-12-10(14(21)20(2)15(19)22)13(23-8-7-16)18-11(17-12)9-5-3-4-6-9/h9H,3-6,8H2,1-2H3