[4-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)phenyl]methyl-(2-methylbutan-2-yloxy)phosphinic acid

Systemtic Name: [4-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)phenyl]methyl-(2-methylbutan-2-yloxy)phosphinic acid Openeye Name: [4-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)phenyl]methyl-(1,1-dimethylpropoxy)phosphinic acid CAS Name: [4-(7-chloro-3-methyl-4-oxo-2-quinazolinyl)phenyl]methyl-(2-methylbutan-2-yloxy)phosphinic acid IUPAC Name: [4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)phenyl]methyl-(2-methylbutan-2-yloxy)phosphinic acid Traditional Name: tert-amyloxy-[4-(7-chloro-4-keto-3-methyl-quinazolin-2-yl)benzyl]phosphinic acid Formula: C21H24ClN2O4P MolecularWeight: 434.853021

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OP(=O)(CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2C)O

Isomeric SMILES

CCC(C)(C)OP(=O)(CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2C)O

InChI

InChI=1S/C21H24ClN2O4P/c1-5-21(2,3)28-29(26,27)13-14-6-8-15(9-7-14)19-23-18-12-16(22)10-11-17(18)20(25)24(19)4/h6-12H,5,13H2,1-4H3,(H,26,27)