(4R)-N-methyl-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine

Systemtic Name: (4R)-N-methyl-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine Openeye Name: (4R)-N-methyl-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-[(1S)-1-(2-thienyl)ethyl]azepan-4-amine CAS Name: (4R)-N-methyl-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-N-[(1S)-1-thiophen-2-ylethyl]-4-azepanamine IUPAC Name: (4R)-N-methyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine Traditional Name: [(4R)-1-(7-mesyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-methyl-[(1S)-1-(2-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)N(C)C(C)C4=CC=CS4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@H](CC3)N(C)[C@@H](C)C4=CC=CS4

InChI

InChI=1S/C23H30N4O2S2/c1-16-20-10-9-19(31(4,28)29)15-21(20)25-23(24-16)27-12-5-7-18(11-13-27)26(3)17(2)22-8-6-14-30-22/h6,8-10,14-15,17-18H,5,7,11-13H2,1-4H3/t17-,18+/m0/s1