2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamide Openeye Name: N-[cyclopropyl(p-tolyl)methyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[cyclopropyl(p-tolyl)methyl]-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H21N5OS/c1-10-2-4-11(5-3-10)16(12-6-7-12)22-15(23)9-24-17-20-13(18)8-14(19)21-17/h2-5,8,12,16H,6-7,9H2,1H3,(H,22,23)(H4,18,19,20,21)