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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C18H24N6O3S2 MolecularWeight: 436.55156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C18H24N6O3S2/c19-15-11-16(20)23-18(22-15)28-12-17(25)21-13-6-5-7-14(10-13)29(26,27)24-8-3-1-2-4-9-24/h5-7,10-11H,1-4,8-9,12H2,(H,21,25)(H4,19,20,22,23)