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

Systemtic Name: 3-[5-[(4S)-2-azanyl-1,4-dimethyl-6-oxidanylidene-5H-pyrimidin-4-yl]thiophen-3-yl]-5-ethynyl-benzenecarbonitrile Openeye Name: 3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-thienyl]-5-ethynyl-benzonitrile CAS Name: 3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-thiophenyl]-5-ethynylbenzonitrile IUPAC Name: 3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-ethynylbenzonitrile Traditional Name: 3-[5-[(4S)-2-amino-6-keto-1,4-dimethyl-5H-pyrimidin-4-yl]-3-thienyl]-5-ethynyl-benzonitrile Formula: C19H16N4OS MolecularWeight: 348.42154

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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)C#C

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4OS/c1-4-12-5-13(10-20)7-14(6-12)15-8-16(25-11-15)19(2)9-17(24)23(3)18(21)22-19/h1,5-8,11H,9H2,2-3H3,(H2,21,22)/t19-/m0/s1