[2-methyl-2,3-bis(oxidanyl)propyl] 4-(4-azanyl-6,7,8-trimethoxy-quinazolin-2-yl)piperazine-1-carboxylate

Systemtic Name: [2-methyl-2,3-bis(oxidanyl)propyl] 4-(4-azanyl-6,7,8-trimethoxy-quinazolin-2-yl)piperazine-1-carboxylate Openeye Name: (2,3-dihydroxy-2-methyl-propyl) 4-(4-amino-6,7,8-trimethoxy-quinazolin-2-yl)piperazine-1-carboxylate CAS Name: 4-(4-amino-6,7,8-trimethoxy-2-quinazolinyl)-1-piperazinecarboxylic acid (2,3-dihydroxy-2-methylpropyl) ester IUPAC Name: (2,3-dihydroxy-2-methylpropyl) 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(4-amino-6,7,8-trimethoxy-quinazolin-2-yl)piperazine-1-carboxylic acid (2,3-dihydroxy-2-methyl-propyl) ester Formula: C20H29N5O7 MolecularWeight: 451.47356

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(COC(=O)N1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)N)OC)OC)OC)O

Isomeric SMILES

CC(CO)(COC(=O)N1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)N)OC)OC)OC)O

InChI

InChI=1S/C20H29N5O7/c1-20(28,10-26)11-32-19(27)25-7-5-24(6-8-25)18-22-14-12(17(21)23-18)9-13(29-2)15(30-3)16(14)31-4/h9,26,28H,5-8,10-11H2,1-4H3,(H2,21,22,23)