N6-methyl-N6-[[4-(phenylsulfonyl)phenyl]methyl]quinazoline-2,4,6-triamine

Systemtic Name: N6-methyl-N6-[[4-(phenylsulfonyl)phenyl]methyl]quinazoline-2,4,6-triamine Openeye Name: N6-[[4-(benzenesulfonyl)phenyl]methyl]-N6-methyl-quinazoline-2,4,6-triamine CAS Name: N6-[[4-(benzenesulfonyl)phenyl]methyl]-N6-methylquinazoline-2,4,6-triamine IUPAC Name: 6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-methylquinazoline-2,4,6-triamine Traditional Name: (4-besylbenzyl)-(2,4-diaminoquinazolin-6-yl)-methyl-amine Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(N=C4N)N

Isomeric SMILES

CN(CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(N=C4N)N

InChI

InChI=1S/C22H21N5O2S/c1-27(16-9-12-20-19(13-16)21(23)26-22(24)25-20)14-15-7-10-18(11-8-15)30(28,29)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H4,23,24,25,26)