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

Systemtic Name: 4-(azepan-1-yl)-6-methylsulfonyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-6-methylsulfonyl-2-(3-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-6-methylsulfonyl-2-(3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-6-methylsulfonyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-6-mesyl-2-(3-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=CN=CC=C3)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2S/c1-27(25,26)24-12-8-17-16(14-24)19(23-10-4-2-3-5-11-23)22-18(21-17)15-7-6-9-20-13-15/h6-7,9,13H,2-5,8,10-12,14H2,1H3