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

Systemtic Name: 4-(azepan-1-yl)-2-pyridin-3-yl-6-thiophen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-2-(3-pyridyl)-6-(2-thienylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-2-(3-pyridinyl)-6-thiophen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-2-pyridin-3-yl-6-thiophen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-2-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S2/c28-31(29,20-8-6-14-30-20)27-13-9-19-18(16-27)22(26-11-3-1-2-4-12-26)25-21(24-19)17-7-5-10-23-15-17/h5-8,10,14-15H,1-4,9,11-13,16H2