2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-tert-butyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-tert-butyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-tert-butyl-2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C17H23N5OS MolecularWeight: 345.46242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C17H23N5OS/c1-17(2,3)22(10-12-7-5-4-6-8-12)15(23)11-24-16-20-13(18)9-14(19)21-16/h4-9H,10-11H2,1-3H3,(H4,18,19,20,21)