4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pteridine-6-carbaldehyde

Systemtic Name: 4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pteridine-6-carbaldehyde Openeye Name: 2-benzylsulfanyl-4-oxo-1H-pteridine-6-carbaldehyde CAS Name: 4-oxo-2-(phenylmethylthio)-1H-pteridine-6-carboxaldehyde IUPAC Name: 2-benzylsulfanyl-4-oxo-1H-pteridine-6-carbaldehyde Traditional Name: 2-(benzylthio)-4-keto-1H-pteridine-6-carbaldehyde Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C3=NC(=CN=C3N2)C=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C3=NC(=CN=C3N2)C=O

InChI

InChI=1S/C14H10N4O2S/c19-7-10-6-15-12-11(16-10)13(20)18-14(17-12)21-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17,18,20)