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

Systemtic Name: (2S)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5OS/c1-9(2)12-7-5-6-10(3)15(12)22-16(23)11(4)24-17-20-13(18)8-14(19)21-17/h5-9,11H,1-4H3,(H,22,23)(H4,18,19,20,21)/t11-/m0/s1