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

Systemtic Name: 4-azanylidene-6-[2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl-methyl-amino]-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-[2-[1-[(4-fluorophenyl)methyl]-2-piperidyl]ethyl-methyl-amino]-6-imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-[2-[1-[(4-fluorophenyl)methyl]-2-piperidinyl]ethyl-methylamino]-6-imino-1,3-dimethyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethyl-methylamino]-6-imino-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-[2-[1-(4-fluorobenzyl)-2-piperidyl]ethyl-methyl-amino]-6-imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C22H29FN6S MolecularWeight: 428.569263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N)N(C1=S)C)C#N)N(C)CCC2CCCCN2CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=C(C(=N)N(C1=S)C)C#N)N(C)CCC2CCCCN2CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H29FN6S/c1-26(21-19(14-24)20(25)27(2)22(30)28(21)3)13-11-18-6-4-5-12-29(18)15-16-7-9-17(23)10-8-16/h7-10,18,25H,4-6,11-13,15H2,1-3H3