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

Systemtic Name: 4-(azepan-1-yl)-6-methylsulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-6-methylsulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-6-methylsulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-6-methylsulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-6-mesyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-27(25,26)24-14-11-18-17(15-24)20(23-12-7-2-3-8-13-23)22-19(21-18)16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3