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

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-p-phenetyl-propionamide Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H19N5O2S/c1-2-22-11-5-3-10(4-6-11)18-14(21)7-8-23-15-19-12(16)9-13(17)20-15/h3-6,9H,2,7-8H2,1H3,(H,18,21)(H4,16,17,19,20)