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

Systemtic Name: 3-[5-[(4S,5R)-2-azanyl-1,4-dimethyl-6-oxidanylidene-5-prop-2-enyl-5H-pyrimidin-4-yl]thiophen-3-yl]benzenecarbonitrile Openeye Name: 3-[5-[(4S,5R)-5-allyl-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-thienyl]benzonitrile CAS Name: 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-prop-2-enyl-5H-pyrimidin-4-yl]-3-thiophenyl]benzonitrile IUPAC Name: 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-prop-2-enyl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile Traditional Name: 3-[5-[(4S,5R)-5-allyl-2-amino-6-keto-1,4-dimethyl-5H-pyrimidin-4-yl]-3-thienyl]benzonitrile Formula: C20H20N4OS MolecularWeight: 364.464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4OS/c1-4-6-16-18(25)24(3)19(22)23-20(16,2)17-10-15(12-26-17)14-8-5-7-13(9-14)11-21/h4-5,7-10,12,16H,1,6H2,2-3H3,(H2,22,23)/t16-,20-/m0/s1