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

Systemtic Name: 4-azanylidene-6-[(3,4-dichlorophenyl)methyl-(piperidin-3-ylmethyl)amino]-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-[(3,4-dichlorophenyl)methyl-(3-piperidylmethyl)amino]-6-imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-[(3,4-dichlorophenyl)methyl-(3-piperidinylmethyl)amino]-6-imino-1,3-dimethyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-[(3,4-dichlorophenyl)methyl-(piperidin-3-ylmethyl)amino]-6-imino-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-[(3,4-dichlorobenzyl)-(3-piperidylmethyl)amino]-6-imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C20H24Cl2N6S MolecularWeight: 451.41576

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H24Cl2N6S/c1-26-18(24)15(9-23)19(27(2)20(26)29)28(12-14-4-3-7-25-10-14)11-13-5-6-16(21)17(22)8-13/h5-6,8,14,24-25H,3-4,7,10-12H2,1-2H3