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

Systemtic Name: 4-(azepan-1-yl)-2-phenyl-6-thiophen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-2-phenyl-6-(2-thienylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-2-phenyl-6-thiophen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-2-phenyl-6-thiophen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-2-phenyl-6-(2-thienylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Formula: C23H26N4O2S2 MolecularWeight: 454.60814

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S2/c28-31(29,21-11-8-16-30-21)27-15-12-20-19(17-27)23(26-13-6-1-2-7-14-26)25-22(24-20)18-9-4-3-5-10-18/h3-5,8-11,16H,1-2,6-7,12-15,17H2