2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanyl-N-(piperidin-3-ylmethyl)ethanamide

Systemtic Name: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanyl-N-(piperidin-3-ylmethyl)ethanamide Openeye Name: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanyl-N-(3-piperidylmethyl)acetamide CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-2-pyrimidinyl]thio]-N-(3-piperidinylmethyl)acetamide IUPAC Name: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]thio]-N-(3-piperidylmethyl)acetamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(N=C2)SCC(=O)NCC3CCCNC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(N=C2)SCC(=O)NCC3CCCNC3)OC

InChI

InChI=1S/C20H26N4O3S/c1-26-17-6-5-15(8-18(17)27-2)16-11-23-20(24-12-16)28-13-19(25)22-10-14-4-3-7-21-9-14/h5-6,8,11-12,14,21H,3-4,7,9-10,13H2,1-2H3,(H,22,25)