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

Systemtic Name: N-[6-azanyl-2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C21H27N5O5S MolecularWeight: 461.53458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3CCCCC3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3CCCCC3)N)OC

InChI

InChI=1S/C21H27N5O5S/c1-30-14-9-8-12(10-15(14)31-2)19(28)24-17-18(22)25-21(26-20(17)29)32-11-16(27)23-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,23,27)(H,24,28)(H3,22,25,26,29)