N-[4-[carbamimidoyl(cyclohexyl)amino]-6-methoxy-quinazolin-2-yl]-4-chloranyl-benzamide dihydrochloride

Systemtic Name: N-[4-[carbamimidoyl(cyclohexyl)amino]-6-methoxy-quinazolin-2-yl]-4-chloranyl-benzamide dihydrochloride Openeye Name: N-[4-[carbamimidoyl(cyclohexyl)amino]-6-methoxy-quinazolin-2-yl]-4-chloro-benzamide dihydrochloride CAS Name: N-[4-[carbamimidoyl(cyclohexyl)amino]-6-methoxy-2-quinazolinyl]-4-chlorobenzamide dihydrochloride IUPAC Name: N-[4-[carbamimidoyl(cyclohexyl)amino]-6-methoxyquinazolin-2-yl]-4-chlorobenzamide dihydrochloride Traditional Name: N-[4-[amidino(cyclohexyl)amino]-6-methoxy-quinazolin-2-yl]-4-chloro-benzamide dihydrochloride Formula: C23H27Cl3N6O2 MolecularWeight: 525.85848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C2N(C3CCCCC3)C(=N)N)NC(=O)C4=CC=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C2N(C3CCCCC3)C(=N)N)NC(=O)C4=CC=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C23H25ClN6O2.2ClH/c1-32-17-11-12-19-18(13-17)20(30(22(25)26)16-5-3-2-4-6-16)28-23(27-19)29-21(31)14-7-9-15(24)10-8-14;;/h7-13,16H,2-6H2,1H3,(H3,25,26)(H,27,28,29,31);2*1H