4-[2-[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]ethyl-methyl-amino]-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide dihydrochloride

Systemtic Name: 4-[2-[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]ethyl-methyl-amino]-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide dihydrochloride Openeye Name: 4-[2-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]ethyl-methyl-amino]-N-(diaminomethylene)-3-methylsulfonyl-benzamide dihydrochloride CAS Name: 4-[2-[(4-amino-6,7-dimethoxy-2-quinazolinyl)-methylamino]ethyl-methylamino]-N-(diaminomethylidene)-3-methylsulfonylbenzamide dihydrochloride IUPAC Name: 4-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]ethyl-methylamino]-N-(diaminomethylidene)-3-methylsulfonylbenzamide dihydrochloride Traditional Name: 4-[2-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]ethyl-methyl-amino]-N-(diaminomethylene)-3-mesyl-benzamide dihydrochloride Formula: C23H32Cl2N8O5S MolecularWeight: 603.52178

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(C)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC)C3=C(C=C(C=C3)C(=O)N=C(N)N)S(=O)(=O)C.Cl.Cl

Isomeric SMILES

CN(CCN(C)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC)C3=C(C=C(C=C3)C(=O)N=C(N)N)S(=O)(=O)C.Cl.Cl

InChI

InChI=1S/C23H30N8O5S.2ClH/c1-30(16-7-6-13(21(32)29-22(25)26)10-19(16)37(5,33)34)8-9-31(2)23-27-15-12-18(36-4)17(35-3)11-14(15)20(24)28-23;;/h6-7,10-12H,8-9H2,1-5H3,(H2,24,27,28)(H4,25,26,29,32);2*1H