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

Systemtic Name: N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-2-methyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-2-methyl-phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-methylphenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-2-methylphenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-2-methyl-phenyl]cyclohexanecarboxamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)NC(=O)C3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)NC(=O)C3CCCCC3

InChI

InChI=1S/C20H26N6O2S/c1-12-9-14(7-8-15(12)24-19(28)13-5-3-2-4-6-13)23-18(27)11-29-20-25-16(21)10-17(22)26-20/h7-10,13H,2-6,11H2,1H3,(H,23,27)(H,24,28)(H4,21,22,25,26)