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

Systemtic Name: 4-azanyl-2-[(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[(1S)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl]thio]pyrimidine-5-carbonitrile Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O2S/c1-9(13(20)10-3-5-12(21-2)6-4-10)22-15-18-8-11(7-16)14(17)19-15/h3-6,8-9H,1-2H3,(H2,17,18,19)/t9-/m0/s1