ethanedioic acid; 4-(4-ethylpiperazin-1-yl)-2-pyridin-3-yl-quinazoline

Systemtic Name: ethanedioic acid; 4-(4-ethylpiperazin-1-yl)-2-pyridin-3-yl-quinazoline Openeye Name: 4-(4-ethylpiperazin-1-yl)-2-(3-pyridyl)quinazoline; oxalic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-2-(3-pyridinyl)quinazoline; oxalic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylquinazoline; oxalic acid Traditional Name: 4-(4-ethylpiperazino)-2-(3-pyridyl)quinazoline; oxalic acid Formula: C23H25N5O8 MolecularWeight: 499.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21N5.2C2H2O4/c1-2-23-10-12-24(13-11-23)19-16-7-3-4-8-17(16)21-18(22-19)15-6-5-9-20-14-15;2*3-1(4)2(5)6/h3-9,14H,2,10-13H2,1H3;2*(H,3,4)(H,5,6)