4-(2-methylsulfanyl-4-oxidanylidene-3-prop-2-enyl-pteridin-6-yl)-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(2-methylsulfanyl-4-oxidanylidene-3-prop-2-enyl-pteridin-6-yl)-4-oxidanylidene-butanenitrile Openeye Name: 4-(3-allyl-2-methylsulfanyl-4-oxo-pteridin-6-yl)-4-oxo-butanenitrile CAS Name: 4-[2-(methylthio)-4-oxo-3-prop-2-enyl-6-pteridinyl]-4-oxobutanenitrile IUPAC Name: 4-(2-methylsulfanyl-4-oxo-3-prop-2-enylpteridin-6-yl)-4-oxobutanenitrile Traditional Name: 4-[3-allyl-4-keto-2-(methylthio)pteridin-6-yl]-4-keto-butyronitrile Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=NC=C(N=C2C(=O)N1CC=C)C(=O)CCC#N

Isomeric SMILES

CSC1=NC2=NC=C(N=C2C(=O)N1CC=C)C(=O)CCC#N

InChI

InChI=1S/C14H13N5O2S/c1-3-7-19-13(21)11-12(18-14(19)22-2)16-8-9(17-11)10(20)5-4-6-15/h3,8H,1,4-5,7H2,2H3