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

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanenitrile Openeye Name: 2-(7-butyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetonitrile CAS Name: 2-[(7-butyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetonitrile Traditional Name: 2-[(7-butyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetonitrile Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SCC#N)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)SCC#N)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H17N5O2S/c1-4-5-6-9-16-11-10(12(17-9)22-8-7-15)13(20)19(3)14(21)18(11)2/h4-6,8H2,1-3H3