4-(azepan-1-yl)-2-pyridin-2-yl-6-thiophen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-2-pyridin-2-yl-6-thiophen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-2-(2-pyridyl)-6-(2-thienylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-2-(2-pyridinyl)-6-thiophen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-2-pyridin-2-yl-6-thiophen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-2-(2-pyridyl)-6-(2-thienylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=N5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=N5

InChI

InChI=1S/C22H25N5O2S2/c28-31(29,20-9-7-15-30-20)27-14-10-18-17(16-27)22(26-12-5-1-2-6-13-26)25-21(24-18)19-8-3-4-11-23-19/h3-4,7-9,11,15H,1-2,5-6,10,12-14,16H2