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

Systemtic Name: ethanedioic acid; 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)quinazoline Openeye Name: 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)quinazoline; oxalic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-2-(4-methoxyphenyl)quinazoline; oxalic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)quinazoline; oxalic acid Traditional Name: 4-(4-ethylpiperazino)-2-(4-methoxyphenyl)quinazoline; oxalic acid Formula: C25H28N4O9 MolecularWeight: 528.51122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O.2C2H2O4/c1-3-24-12-14-25(15-13-24)21-18-6-4-5-7-19(18)22-20(23-21)16-8-10-17(26-2)11-9-16;2*3-1(4)2(5)6/h4-11H,3,12-15H2,1-2H3;2*(H,3,4)(H,5,6)