4-azanyl-2-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(2,4-dihydroxyphenyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(2,4-dihydroxyphenyl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)O)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1O)O)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C13H10N4O3S/c14-4-7-5-16-13(17-12(7)15)21-6-11(20)9-2-1-8(18)3-10(9)19/h1-3,5,18-19H,6H2,(H2,15,16,17)