[3-[6-[bis(hydroxymethyl)-methoxycarbonyl-azaniumyl]-4-oxidanylidene-3-phenyl-quinazolin-2-yl]phenyl]-bis(hydroxymethyl)-methoxycarbonyl-azanium

Systemtic Name: [3-[6-[bis(hydroxymethyl)-methoxycarbonyl-azaniumyl]-4-oxidanylidene-3-phenyl-quinazolin-2-yl]phenyl]-bis(hydroxymethyl)-methoxycarbonyl-azanium Openeye Name: [3-[6-[bis(hydroxymethyl)-methoxycarbonyl-ammonio]-4-oxo-3-phenyl-quinazolin-2-yl]phenyl]-bis(hydroxymethyl)-methoxycarbonyl-ammonium CAS Name: [3-[6-[bis(hydroxymethyl)-methoxycarbonylammonio]-4-oxo-3-phenyl-2-quinazolinyl]phenyl]-bis(hydroxymethyl)-methoxycarbonylammonium IUPAC Name: [3-[6-[bis(hydroxymethyl)-methoxycarbonylazaniumyl]-4-oxo-3-phenylquinazolin-2-yl]phenyl]-bis(hydroxymethyl)-methoxycarbonylazanium Traditional Name: carbomethoxy-[3-[6-[carbomethoxy(dimethylol)ammonio]-4-keto-3-phenyl-quinazolin-2-yl]phenyl]-dimethylol-ammonium Formula: C28H30N4O9+2 MolecularWeight: 566.5592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[N+](CO)(CO)C1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](CO)(CO)C(=O)OC

Isomeric SMILES

COC(=O)[N+](CO)(CO)C1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](CO)(CO)C(=O)OC

InChI

InChI=1S/C28H30N4O9/c1-40-27(38)31(15-33,16-34)21-10-6-7-19(13-21)25-29-24-12-11-22(32(17-35,18-36)28(39)41-2)14-23(24)26(37)30(25)20-8-4-3-5-9-20/h3-14,33-36H,15-18H2,1-2H3/q+2