N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C19H26N6O3S2 MolecularWeight: 450.57814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N6O3S2/c1-13-6-7-14(10-15(13)30(27,28)25-8-4-2-3-5-9-25)22-18(26)12-29-19-23-16(20)11-17(21)24-19/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,22,26)(H4,20,21,23,24)