4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-N-(2-methoxyphenyl)benzamide

Systemtic Name: 4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-N-(2-methoxyphenyl)benzamide Openeye Name: 4-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-methoxyphenyl)benzamide CAS Name: 4-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-N-(2-methoxyphenyl)benzamide IUPAC Name: 4-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-methoxyphenyl)benzamide Traditional Name: 4-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-N-(2-methoxyphenyl)benzamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C21H18N6O3S/c1-30-17-5-3-2-4-16(17)26-20(29)13-6-8-15(9-7-13)25-18(28)12-31-21-24-11-14(10-22)19(23)27-21/h2-9,11H,12H2,1H3,(H,25,28)(H,26,29)(H2,23,24,27)