N-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-2-methyl-phenyl]propanamide

Systemtic Name: N-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-2-methyl-phenyl]propanamide Openeye Name: N-[4-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-2-methyl-phenyl]propanamide CAS Name: N-[4-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-methylphenyl]propanamide IUPAC Name: N-[4-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide Traditional Name: N-[4-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-2-methyl-phenyl]propionamide Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)C

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)C

InChI

InChI=1S/C17H18N6O2S/c1-3-14(24)22-13-5-4-12(6-10(13)2)21-15(25)9-26-17-20-8-11(7-18)16(19)23-17/h4-6,8H,3,9H2,1-2H3,(H,21,25)(H,22,24)(H2,19,20,23)