4-[[[6,7-dimethoxy-2-(quinazolin-7-ylamino)quinazolin-4-yl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[6,7-dimethoxy-2-(quinazolin-7-ylamino)quinazolin-4-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[6,7-dimethoxy-2-(quinazolin-7-ylamino)quinazolin-4-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[6,7-dimethoxy-2-(7-quinazolinylamino)-4-quinazolinyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[6,7-dimethoxy-2-(quinazolin-7-ylamino)quinazolin-4-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[6,7-dimethoxy-2-(quinazolin-7-ylamino)quinazolin-4-yl]amino]methyl]benzenesulfonamide Formula: C25H23N7O4S MolecularWeight: 517.55962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC4=NC=NC=C4C=C3)NCC5=CC=C(C=C5)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC4=NC=NC=C4C=C3)NCC5=CC=C(C=C5)S(=O)(=O)N)OC

InChI

InChI=1S/C25H23N7O4S/c1-35-22-10-19-21(11-23(22)36-2)31-25(30-17-6-5-16-13-27-14-29-20(16)9-17)32-24(19)28-12-15-3-7-18(8-4-15)37(26,33)34/h3-11,13-14H,12H2,1-2H3,(H2,26,33,34)(H2,28,30,31,32)