4-azanyl-2-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl]thio]pyrimidine-5-carbonitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C16H16N4O2S/c1-3-22-13-6-4-11(5-7-13)14(21)10(2)23-16-19-9-12(8-17)15(18)20-16/h4-7,9-10H,3H2,1-2H3,(H2,18,19,20)/t10-/m0/s1