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

Systemtic Name: 3-[5-[(4S,5R)-2-azanyl-1,4,5-trimethyl-6-oxidanylidene-5H-pyrimidin-4-yl]thiophen-3-yl]benzenecarbonitrile Openeye Name: 3-[5-[(4S,5R)-2-amino-1,4,5-trimethyl-6-oxo-5H-pyrimidin-4-yl]-3-thienyl]benzonitrile CAS Name: 3-[5-[(4S,5R)-2-amino-1,4,5-trimethyl-6-oxo-5H-pyrimidin-4-yl]-3-thiophenyl]benzonitrile IUPAC Name: 3-[5-[(4S,5R)-2-amino-1,4,5-trimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile Traditional Name: 3-[5-[(4S,5R)-2-amino-6-keto-1,4,5-trimethyl-5H-pyrimidin-4-yl]-3-thienyl]benzonitrile Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=NC1(C)C2=CC(=CS2)C3=CC=CC(=C3)C#N)N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4OS/c1-11-16(23)22(3)17(20)21-18(11,2)15-8-14(10-24-15)13-6-4-5-12(7-13)9-19/h4-8,10-11H,1-3H3,(H2,20,21)/t11-,18-/m0/s1