4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylpropanoylamino]-N-(4-ethoxyphenyl)benzamide

Systemtic Name: 4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylpropanoylamino]-N-(4-ethoxyphenyl)benzamide Openeye Name: 4-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylpropanoylamino]-N-(4-ethoxyphenyl)benzamide CAS Name: 4-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxopropyl]amino]-N-(4-ethoxyphenyl)benzamide IUPAC Name: 4-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylpropanoylamino]-N-(4-ethoxyphenyl)benzamide Traditional Name: 4-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]propanoylamino]-N-p-phenetyl-benzamide Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C23H22N6O3S/c1-3-32-19-10-8-18(9-11-19)28-22(31)15-4-6-17(7-5-15)27-21(30)14(2)33-23-26-13-16(12-24)20(25)29-23/h4-11,13-14H,3H2,1-2H3,(H,27,30)(H,28,31)(H2,25,26,29)