3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]propanamide Openeye Name: N-[(2-chlorophenyl)methyl]-3-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-[(2-chlorophenyl)methyl]-3-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(2-chlorobenzyl)-3-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCSC2=NC(=CC(=N2)N)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCSC2=NC(=CC(=N2)N)N)Cl

InChI

InChI=1S/C14H16ClN5OS/c15-10-4-2-1-3-9(10)8-18-13(21)5-6-22-14-19-11(16)7-12(17)20-14/h1-4,7H,5-6,8H2,(H,18,21)(H4,16,17,19,20)