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

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(3,5-dimethoxyphenyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3,5-dimethoxyphenyl)propionamide Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O3S/c1-22-10-5-9(6-11(7-10)23-2)18-14(21)3-4-24-15-19-12(16)8-13(17)20-15/h5-8H,3-4H2,1-2H3,(H,18,21)(H4,16,17,19,20)