N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-(1-piperidyl)ethylsulfanyl]-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-piperidinyl)ethylthio]-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(2-piperidinoethylthio)-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCN3CCCCC3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCN3CCCCC3)N)OC

InChI

InChI=1S/C20H27N5O4S/c1-28-14-7-6-13(12-15(14)29-2)18(26)22-16-17(21)23-20(24-19(16)27)30-11-10-25-8-4-3-5-9-25/h6-7,12H,3-5,8-11H2,1-2H3,(H,22,26)(H3,21,23,24,27)