2-azanyl-3-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3-dimethyl-4-phenyl-piperidine-1-sulfonic acid

Systemtic Name: 2-azanyl-3-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3-dimethyl-4-phenyl-piperidine-1-sulfonic acid Openeye Name: 2-amino-3-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-2,3-dimethyl-4-phenyl-piperidine-1-sulfonic acid CAS Name: 2-amino-3-(4-amino-6,7-dimethoxy-2-quinazolinyl)-2,3-dimethyl-4-phenyl-1-piperidinesulfonic acid IUPAC Name: 2-amino-3-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3-dimethyl-4-phenylpiperidine-1-sulfonic acid Traditional Name: 2-amino-3-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-2,3-dimethyl-4-phenyl-piperidine-1-sulfonic acid Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCN(C1(C)N)S(=O)(=O)O)C2=CC=CC=C2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

Isomeric SMILES

CC1(C(CCN(C1(C)N)S(=O)(=O)O)C2=CC=CC=C2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

InChI

InChI=1S/C23H29N5O5S/c1-22(21-26-17-13-19(33-4)18(32-3)12-15(17)20(24)27-21)16(14-8-6-5-7-9-14)10-11-28(23(22,2)25)34(29,30)31/h5-9,12-13,16H,10-11,25H2,1-4H3,(H2,24,26,27)(H,29,30,31)