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

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-methoxyphenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(3-methoxyphenyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3-methoxyphenyl)propionamide Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O2S/c1-21-10-4-2-3-9(7-10)17-13(20)5-6-22-14-18-11(15)8-12(16)19-14/h2-4,7-8H,5-6H2,1H3,(H,17,20)(H4,15,16,18,19)