N-[4-(azepan-1-ylsulfonyl)phenyl]-6-methyl-pyrimidin-4-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-methyl-pyrimidin-4-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-methyl-pyrimidin-4-amine CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-6-methyl-4-pyrimidinamine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-methylpyrimidin-4-amine Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(6-methylpyrimidin-4-yl)amine Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H22N4O2S/c1-14-12-17(19-13-18-14)20-15-6-8-16(9-7-15)24(22,23)21-10-4-2-3-5-11-21/h6-9,12-13H,2-5,10-11H2,1H3,(H,18,19,20)