2-cyanoethyl 2-methylsulfanyl-4-oxidanylidene-3-prop-2-enyl-pteridine-6-carboxylate

Systemtic Name: 2-cyanoethyl 2-methylsulfanyl-4-oxidanylidene-3-prop-2-enyl-pteridine-6-carboxylate Openeye Name: 2-cyanoethyl 3-allyl-2-methylsulfanyl-4-oxo-pteridine-6-carboxylate CAS Name: 2-(methylthio)-4-oxo-3-prop-2-enyl-6-pteridinecarboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 2-methylsulfanyl-4-oxo-3-prop-2-enylpteridine-6-carboxylate Traditional Name: 3-allyl-4-keto-2-(methylthio)pteridine-6-carboxylic acid 2-cyanoethyl ester Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3S/c1-3-6-19-12(20)10-11(18-14(19)23-2)16-8-9(17-10)13(21)22-7-4-5-15/h3,8H,1,4,6-7H2,2H3