N'-[2-imidazol-1-yl-4-[(phenylmethyl)amino]quinazolin-6-yl]sulfonyl-N,N-dimethyl-methanimidamide dihydrochloride

Systemtic Name: N'-[2-imidazol-1-yl-4-[(phenylmethyl)amino]quinazolin-6-yl]sulfonyl-N,N-dimethyl-methanimidamide dihydrochloride Openeye Name: N'-[4-(benzylamino)-2-imidazol-1-yl-quinazolin-6-yl]sulfonyl-N,N-dimethyl-formamidine dihydrochloride CAS Name: N'-[[2-(1-imidazolyl)-4-[(phenylmethyl)amino]-6-quinazolinyl]sulfonyl]-N,N-dimethylmethanimidamide dihydrochloride IUPAC Name: N'-[4-(benzylamino)-2-imidazol-1-ylquinazolin-6-yl]sulfonyl-N,N-dimethylmethanimidamide dihydrochloride Traditional Name: N'-[4-(benzylamino)-2-imidazol-1-yl-quinazolin-6-yl]sulfonyl-N,N-dimethyl-formamidine dihydrochloride Formula: C21H23Cl2N7O2S MolecularWeight: 508.42402

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=CC2=C(C=C1)N=C(N=C2NCC3=CC=CC=C3)N4C=CN=C4.Cl.Cl

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=CC2=C(C=C1)N=C(N=C2NCC3=CC=CC=C3)N4C=CN=C4.Cl.Cl

InChI

InChI=1S/C21H21N7O2S.2ClH/c1-27(2)15-24-31(29,30)17-8-9-19-18(12-17)20(23-13-16-6-4-3-5-7-16)26-21(25-19)28-11-10-22-14-28;;/h3-12,14-15H,13H2,1-2H3,(H,23,25,26);2*1H/b24-15+;;