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

Systemtic Name: 4-(azepan-1-yl)-6-methylsulfonyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-6-methylsulfonyl-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-6-methylsulfonyl-2-(2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-6-methylsulfonyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-6-mesyl-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=N3)N4CCCCCC4

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=N3)N4CCCCCC4

InChI

InChI=1S/C19H25N5O2S/c1-27(25,26)24-13-9-16-15(14-24)19(23-11-6-2-3-7-12-23)22-18(21-16)17-8-4-5-10-20-17/h4-5,8,10H,2-3,6-7,9,11-14H2,1H3