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

Systemtic Name: 4-azanylidene-6-[(4-methoxyphenyl)methyl-(piperidin-3-ylmethyl)amino]-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-imino-6-[(4-methoxyphenyl)methyl-(3-piperidylmethyl)amino]-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-imino-6-[(4-methoxyphenyl)methyl-(3-piperidinylmethyl)amino]-1,3-dimethyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-imino-6-[(4-methoxyphenyl)methyl-(piperidin-3-ylmethyl)amino]-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-imino-1,3-dimethyl-6-[p-anisyl(3-piperidylmethyl)amino]-2-thioxo-pyrimidine-5-carbonitrile Formula: C21H28N6OS MolecularWeight: 412.55162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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