4-azanyl-7-methoxy-2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]iminopiperidin-1-yl]quinazoline-6-sulfonamide

Systemtic Name: 4-azanyl-7-methoxy-2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]iminopiperidin-1-yl]quinazoline-6-sulfonamide Openeye Name: 4-amino-2-[4-[2-hydroxy-3-(isopropylamino)propoxy]imino-1-piperidyl]-7-methoxy-quinazoline-6-sulfonamide CAS Name: 4-amino-2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]imino-1-piperidinyl]-7-methoxy-6-quinazolinesulfonamide IUPAC Name: 4-amino-2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]iminopiperidin-1-yl]-7-methoxyquinazoline-6-sulfonamide Traditional Name: 4-amino-2-[4-[2-hydroxy-3-(isopropylamino)propyl]oximinopiperidino]-7-methoxy-quinazoline-6-sulfonamide Formula: C20H31N7O5S MolecularWeight: 481.56904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(CON=C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)S(=O)(=O)N)OC)O

Isomeric SMILES

CC(C)NCC(CON=C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)S(=O)(=O)N)OC)O

InChI

InChI=1S/C20H31N7O5S/c1-12(2)23-10-14(28)11-32-26-13-4-6-27(7-5-13)20-24-16-9-17(31-3)18(33(22,29)30)8-15(16)19(21)25-20/h8-9,12,14,23,28H,4-7,10-11H2,1-3H3,(H2,21,24,25)(H2,22,29,30)