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

Systemtic Name: 4-azanylidene-6-[2-(4-chlorophenyl)ethyl-piperidin-3-yl-amino]-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(4-chlorophenyl)ethyl-(3-piperidyl)amino]-6-imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-[2-(4-chlorophenyl)ethyl-(3-piperidinyl)amino]-6-imino-1,3-dimethyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-(4-chlorophenyl)ethyl-piperidin-3-ylamino]-6-imino-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-[2-(4-chlorophenyl)ethyl-(3-piperidyl)amino]-6-imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C20H25ClN6S MolecularWeight: 416.9707

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N)N(C1=S)C)C#N)N(CCC2=CC=C(C=C2)Cl)C3CCCNC3

Isomeric SMILES

CN1C(=C(C(=N)N(C1=S)C)C#N)N(CCC2=CC=C(C=C2)Cl)C3CCCNC3

InChI

InChI=1S/C20H25ClN6S/c1-25-18(23)17(12-22)19(26(2)20(25)28)27(16-4-3-10-24-13-16)11-9-14-5-7-15(21)8-6-14/h5-8,16,23-24H,3-4,9-11,13H2,1-2H3