6-azanylidene-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1-methyl-3-(phenylmethyl)-2-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 6-azanylidene-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1-methyl-3-(phenylmethyl)-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-benzyl-6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-imino-3-methyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-6-imino-1-methyl-3-(phenylmethyl)-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-imino-3-methyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 1-benzyl-6-[4-(4-fluorobenzyl)piperazino]-4-imino-3-methyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C24H25FN6S MolecularWeight: 448.558903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=N)C(=C(N(C1=S)CC2=CC=CC=C2)N3CCN(CC3)CC4=CC=C(C=C4)F)C#N

Isomeric SMILES

CN1C(=N)C(=C(N(C1=S)CC2=CC=CC=C2)N3CCN(CC3)CC4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C24H25FN6S/c1-28-22(27)21(15-26)23(31(24(28)32)17-18-5-3-2-4-6-18)30-13-11-29(12-14-30)16-19-7-9-20(25)10-8-19/h2-10,27H,11-14,16-17H2,1H3