6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylthio)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylthio)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=C(N3)SCCO)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=C(N3)SCCO)C#N

InChI

InChI=1S/C14H11N3O4S/c15-6-9-12(16-14(17-13(9)19)22-4-3-18)8-1-2-10-11(5-8)21-7-20-10/h1-2,5,18H,3-4,7H2,(H,16,17,19)