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

Systemtic Name: 4-azanylidene-6-[(3,4-dimethoxyphenyl)methyl-(piperidin-3-ylmethyl)amino]-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl-(3-piperidylmethyl)amino]-6-imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-[(3,4-dimethoxyphenyl)methyl-(3-piperidinylmethyl)amino]-6-imino-1,3-dimethyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl-(piperidin-3-ylmethyl)amino]-6-imino-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-imino-1,3-dimethyl-6-[3-piperidylmethyl(veratryl)amino]-2-thioxo-pyrimidine-5-carbonitrile Formula: C22H30N6O2S MolecularWeight: 442.5776

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2S/c1-26-20(24)17(11-23)21(27(2)22(26)31)28(14-16-6-5-9-25-12-16)13-15-7-8-18(29-3)19(10-15)30-4/h7-8,10,16,24-25H,5-6,9,12-14H2,1-4H3