N4-(3,4-dimethoxyphenyl)-N2-[(4-methylsulfonylphenyl)methyl]quinazoline-2,4-diamine

Systemtic Name: N4-(3,4-dimethoxyphenyl)-N2-[(4-methylsulfonylphenyl)methyl]quinazoline-2,4-diamine Openeye Name: N4-(3,4-dimethoxyphenyl)-N2-[(4-methylsulfonylphenyl)methyl]quinazoline-2,4-diamine CAS Name: N4-(3,4-dimethoxyphenyl)-N2-[(4-methylsulfonylphenyl)methyl]quinazoline-2,4-diamine IUPAC Name: 4-N-(3,4-dimethoxyphenyl)-2-N-[(4-methylsulfonylphenyl)methyl]quinazoline-2,4-diamine Traditional Name: [4-(3,4-dimethoxyanilino)quinazolin-2-yl]-(4-mesylbenzyl)amine Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)NCC4=CC=C(C=C4)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)NCC4=CC=C(C=C4)S(=O)(=O)C)OC

InChI

InChI=1S/C24H24N4O4S/c1-31-21-13-10-17(14-22(21)32-2)26-23-19-6-4-5-7-20(19)27-24(28-23)25-15-16-8-11-18(12-9-16)33(3,29)30/h4-14H,15H2,1-3H3,(H2,25,26,27,28)