ethanedioic acid; 2-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: ethanedioic acid; 2-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(2-furylmethylamino)methyl]-6,7-dimethoxy-1H-quinazolin-4-one; oxalic acid CAS Name: 2-[(2-furanylmethylamino)methyl]-6,7-dimethoxy-1H-quinazolin-4-one; oxalic acid IUPAC Name: 2-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1H-quinazolin-4-one; oxalic acid Traditional Name: 2-[(2-furfurylamino)methyl]-6,7-dimethoxy-1H-quinazolin-4-one; oxalic acid Formula: C18H19N3O8 MolecularWeight: 405.35876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CNCC3=CC=CO3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CNCC3=CC=CO3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17N3O4.C2H2O4/c1-21-13-6-11-12(7-14(13)22-2)18-15(19-16(11)20)9-17-8-10-4-3-5-23-10;3-1(4)2(5)6/h3-7,17H,8-9H2,1-2H3,(H,18,19,20);(H,3,4)(H,5,6)