N-(3-acetamido-4-methyl-phenyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-acetamido-4-methyl-phenyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-acetamido-4-methyl-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-acetamido-4-methylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-acetamido-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-acetamido-4-methyl-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C15H18N6O2S MolecularWeight: 346.40742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O2S/c1-8-3-4-10(5-11(8)18-9(2)22)19-14(23)7-24-15-20-12(16)6-13(17)21-15/h3-6H,7H2,1-2H3,(H,18,22)(H,19,23)(H4,16,17,20,21)