4-[(4-fluorophenyl)methylamino]-1,3-dimethyl-6-(phenylmethyl)imino-2-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(4-fluorophenyl)methylamino]-1,3-dimethyl-6-(phenylmethyl)imino-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-benzylimino-6-[(4-fluorophenyl)methylamino]-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-[(4-fluorophenyl)methylamino]-1,3-dimethyl-6-(phenylmethyl)imino-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-benzylimino-6-[(4-fluorophenyl)methylamino]-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-benzylimino-6-[(4-fluorobenzyl)amino]-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C21H20FN5S MolecularWeight: 393.480403

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=NCC2=CC=CC=C2)N(C1=S)C)C#N)NCC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=C(C(=NCC2=CC=CC=C2)N(C1=S)C)C#N)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN5S/c1-26-19(24-13-15-6-4-3-5-7-15)18(12-23)20(27(2)21(26)28)25-14-16-8-10-17(22)11-9-16/h3-11,25H,13-14H2,1-2H3