(2S)-N-(5-azanyl-2-methyl-phenyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(5-azanyl-2-methyl-phenyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(5-amino-2-methylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(5-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C14H18N6OS MolecularWeight: 318.39732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)[C@H](C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H18N6OS/c1-7-3-4-9(15)5-10(7)18-13(21)8(2)22-14-19-11(16)6-12(17)20-14/h3-6,8H,15H2,1-2H3,(H,18,21)(H4,16,17,19,20)/t8-/m0/s1