3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-chloranyl-2-methoxy-phenyl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-chloranyl-2-methoxy-phenyl)propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C14H16ClN5O2S MolecularWeight: 353.82714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H16ClN5O2S/c1-22-10-3-2-8(15)6-9(10)18-13(21)4-5-23-14-19-11(16)7-12(17)20-14/h2-3,6-7H,4-5H2,1H3,(H,18,21)(H4,16,17,19,20)