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

Systemtic Name: 4-azanylidene-6-[(4-chlorophenyl)methyl-(piperidin-3-ylmethyl)amino]-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-[(4-chlorophenyl)methyl-(3-piperidylmethyl)amino]-6-imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-[(4-chlorophenyl)methyl-(3-piperidinylmethyl)amino]-6-imino-1,3-dimethyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-[(4-chlorophenyl)methyl-(piperidin-3-ylmethyl)amino]-6-imino-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-[(4-chlorobenzyl)-(3-piperidylmethyl)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(CC2CCCNC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=C(C(=N)N(C1=S)C)C#N)N(CC2CCCNC2)CC3=CC=C(C=C3)Cl

InChI

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