4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-(3-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide Formula: C21H23FN6O3 MolecularWeight: 426.444123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)F)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)F)N)OC

InChI

InChI=1S/C21H23FN6O3/c1-30-17-11-15-16(12-18(17)31-2)25-20(26-19(15)23)27-6-8-28(9-7-27)21(29)24-14-5-3-4-13(22)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,24,29)(H2,23,25,26)