N-[3-(azepan-1-ylsulfonyl)phenyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-thieno[2,3-d]pyrimidin-4-yl-amine Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C18H20N4O2S2/c23-26(24,22-9-3-1-2-4-10-22)15-7-5-6-14(12-15)21-17-16-8-11-25-18(16)20-13-19-17/h5-8,11-13H,1-4,9-10H2,(H,19,20,21)