4-azanyl-2-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl]thio]pyrimidine-5-carbonitrile Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C17H18N4OS/c1-3-11(2)12-4-6-13(7-5-12)15(22)10-23-17-20-9-14(8-18)16(19)21-17/h4-7,9,11H,3,10H2,1-2H3,(H2,19,20,21)/t11-/m0/s1