2-[(4-fluorophenyl)methylamino]-1-methyl-6-oxidanylidene-4-thiophen-2-yl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-fluorophenyl)methylamino]-1-methyl-6-oxidanylidene-4-thiophen-2-yl-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-fluorophenyl)methylamino]-1-methyl-6-oxo-4-(2-thienyl)pyrimidine-5-carbonitrile CAS Name: 2-[(4-fluorophenyl)methylamino]-1-methyl-6-oxo-4-thiophen-2-yl-5-pyrimidinecarbonitrile IUPAC Name: 2-[(4-fluorophenyl)methylamino]-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile Traditional Name: 2-[(4-fluorobenzyl)amino]-6-keto-1-methyl-4-(2-thienyl)pyrimidine-5-carbonitrile Formula: C17H13FN4OS MolecularWeight: 340.374723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NCC2=CC=C(C=C2)F)C3=CC=CS3)C#N

Isomeric SMILES

CN1C(=O)C(=C(N=C1NCC2=CC=C(C=C2)F)C3=CC=CS3)C#N

InChI

InChI=1S/C17H13FN4OS/c1-22-16(23)13(9-19)15(14-3-2-8-24-14)21-17(22)20-10-11-4-6-12(18)7-5-11/h2-8H,10H2,1H3,(H,20,21)