3-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]-benzyl-amino]propanamide CAS Name: 3-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-benzylamino]propanamide Traditional Name: 3-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]-benzyl-amino]propionamide Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O2S/c18-8-13-9-21-17(22-16(13)20)26-11-15(25)23(7-6-14(19)24)10-12-4-2-1-3-5-12/h1-5,9H,6-7,10-11H2,(H2,19,24)(H2,20,21,22)