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

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-isopropylphenyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-p-cumenyl-propionamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS/c1-10(2)11-3-5-12(6-4-11)19-15(22)7-8-23-16-20-13(17)9-14(18)21-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)(H4,17,18,20,21)