4-azanylidene-6-[(4-fluorophenyl)methyl-(piperidin-2-ylmethyl)amino]-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanylidene-6-[(4-fluorophenyl)methyl-(piperidin-2-ylmethyl)amino]-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-[(4-fluorophenyl)methyl-(2-piperidylmethyl)amino]-6-imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-[(4-fluorophenyl)methyl-(2-piperidinylmethyl)amino]-6-imino-1,3-dimethyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-[(4-fluorophenyl)methyl-(piperidin-2-ylmethyl)amino]-6-imino-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-[(4-fluorobenzyl)-(2-piperidylmethyl)amino]-6-imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C20H25FN6S MolecularWeight: 400.516103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N)N(C1=S)C)C#N)N(CC2CCCCN2)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=C(C(=N)N(C1=S)C)C#N)N(CC2CCCCN2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN6S/c1-25-18(23)17(11-22)19(26(2)20(25)28)27(13-16-5-3-4-10-24-16)12-14-6-8-15(21)9-7-14/h6-9,16,23-24H,3-5,10,12-13H2,1-2H3