(E)-but-2-enedioic acid; 4-hexoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline

Systemtic Name: (E)-but-2-enedioic acid; 4-hexoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline Openeye Name: 2-(4-allylpiperazin-1-yl)-4-hexoxy-quinazoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-hexoxy-2-(4-prop-2-enyl-1-piperazinyl)quinazoline IUPAC Name: (E)-but-2-enedioic acid; 4-hexoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline Traditional Name: 2-(4-allylpiperazino)-4-hexoxy-quinazoline; fumaric acid Formula: C25H34N4O5 MolecularWeight: 470.56126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H30N4O.C4H4O4/c1-3-5-6-9-17-26-20-18-10-7-8-11-19(18)22-21(23-20)25-15-13-24(12-4-2)14-16-25;5-3(6)1-2-4(7)8/h4,7-8,10-11H,2-3,5-6,9,12-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+