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

Systemtic Name: 4-azanylidene-6-[2-(4-methoxyphenyl)ethyl-piperidin-3-yl-amino]-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-imino-6-[2-(4-methoxyphenyl)ethyl-(3-piperidyl)amino]-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-imino-6-[2-(4-methoxyphenyl)ethyl-(3-piperidinyl)amino]-1,3-dimethyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-imino-6-[2-(4-methoxyphenyl)ethyl-piperidin-3-ylamino]-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-imino-6-[2-(4-methoxyphenyl)ethyl-(3-piperidyl)amino]-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C21H28N6OS MolecularWeight: 412.55162

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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)C3CCCNC3

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6OS/c1-25-19(23)18(13-22)20(26(2)21(25)29)27(16-5-4-11-24-14-16)12-10-15-6-8-17(28-3)9-7-15/h6-9,16,23-24H,4-5,10-12,14H2,1-3H3