4-azanyl-2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(4-cyclohexylphenyl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C19H20N4OS/c20-10-16-11-22-19(23-18(16)21)25-12-17(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,11,13H,1-5,12H2,(H2,21,22,23)