N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-2-methyl-phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-2-methyl-phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-2-methyl-phenyl]-2-methyl-benzamide CAS Name: N-[4-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-methylphenyl]-2-methylbenzamide IUPAC Name: N-[4-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-2-methylphenyl]-2-methylbenzamide Traditional Name: N-[4-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-2-methyl-phenyl]-2-methyl-benzamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N)C

InChI

InChI=1S/C21H22N6O2S/c1-12-5-3-4-6-15(12)20(29)25-16-8-7-14(9-13(16)2)24-19(28)11-30-21-26-17(22)10-18(23)27-21/h3-10H,11H2,1-2H3,(H,24,28)(H,25,29)(H4,22,23,26,27)