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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide Formula: C19H25N5O4S2 MolecularWeight: 451.5629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4S2/c1-13-6-7-14(10-15(13)30(27,28)24-8-4-2-3-5-9-24)21-18(26)12-29-19-22-16(20)11-17(25)23-19/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,21,26)(H3,20,22,23,25)