2-chloranyl-6,7-dimethoxy-N-[(4-methylsulfonylphenyl)methyl]quinazolin-4-amine

Systemtic Name: 2-chloranyl-6,7-dimethoxy-N-[(4-methylsulfonylphenyl)methyl]quinazolin-4-amine Openeye Name: 2-chloro-6,7-dimethoxy-N-[(4-methylsulfonylphenyl)methyl]quinazolin-4-amine CAS Name: 2-chloro-6,7-dimethoxy-N-[(4-methylsulfonylphenyl)methyl]-4-quinazolinamine IUPAC Name: 2-chloro-6,7-dimethoxy-N-[(4-methylsulfonylphenyl)methyl]quinazolin-4-amine Traditional Name: (2-chloro-6,7-dimethoxy-quinazolin-4-yl)-(4-mesylbenzyl)amine Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC=C(C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C18H18ClN3O4S/c1-25-15-8-13-14(9-16(15)26-2)21-18(19)22-17(13)20-10-11-4-6-12(7-5-11)27(3,23)24/h4-9H,10H2,1-3H3,(H,20,21,22)