3-[5-[(4S)-2-azanyl-1,4-dimethyl-6-oxidanylidene-5H-pyrimidin-4-yl]thiophen-3-yl]benzenecarbonitrile

Systemtic Name: 3-[5-[(4S)-2-azanyl-1,4-dimethyl-6-oxidanylidene-5H-pyrimidin-4-yl]thiophen-3-yl]benzenecarbonitrile Openeye Name: 3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-thienyl]benzonitrile CAS Name: 3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-thiophenyl]benzonitrile IUPAC Name: 3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile Traditional Name: 3-[5-[(4S)-2-amino-6-keto-1,4-dimethyl-5H-pyrimidin-4-yl]-3-thienyl]benzonitrile Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C(=N1)N)C)C2=CC(=CS2)C3=CC=CC(=C3)C#N

Isomeric SMILES

C[C@]1(CC(=O)N(C(=N1)N)C)C2=CC(=CS2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1