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

Systemtic Name: 4-azanylidene-6-[2-(3,4-dimethoxyphenyl)ethyl-piperidin-3-yl-amino]-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-(3-piperidyl)amino]-6-imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-(3-piperidinyl)amino]-6-imino-1,3-dimethyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-piperidin-3-ylamino]-6-imino-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-[homoveratryl(3-piperidyl)amino]-6-imino-1,3-dimethyl-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(CCC2=CC(=C(C=C2)OC)OC)C3CCCNC3

Isomeric SMILES

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

InChI

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