1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(1-thiophen-3-ylpropan-2-yl)azepan-4-amine

Systemtic Name: 1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(1-thiophen-3-ylpropan-2-yl)azepan-4-amine Openeye Name: 1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-[1-methyl-2-(3-thienyl)ethyl]azepan-4-amine CAS Name: 1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-N-[1-(3-thiophenyl)propan-2-yl]-4-azepanamine IUPAC Name: 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(1-thiophen-3-ylpropan-2-yl)azepan-4-amine Traditional Name: [1-(7-mesyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-[1-methyl-2-(3-thienyl)ethyl]amine Formula: C23H30N4O2S2 MolecularWeight: 458.6399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(CC3)NC(C)CC4=CSC=C4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(CC3)NC(C)CC4=CSC=C4

InChI

InChI=1S/C23H30N4O2S2/c1-16(13-18-9-12-30-15-18)24-19-5-4-10-27(11-8-19)23-25-17(2)21-7-6-20(31(3,28)29)14-22(21)26-23/h6-7,9,12,14-16,19,24H,4-5,8,10-11,13H2,1-3H3