(E)-but-2-enedioate; 2-(4-prop-2-enylpiperazin-1-yl)-4-propoxy-quinazoline

Systemtic Name: (E)-but-2-enedioate; 2-(4-prop-2-enylpiperazin-1-yl)-4-propoxy-quinazoline Openeye Name: 2-(4-allylpiperazin-1-yl)-4-propoxy-quinazoline; (E)-but-2-enedioate CAS Name: (E)-2-butenedioate; 2-(4-prop-2-enyl-1-piperazinyl)-4-propoxyquinazoline IUPAC Name: (E)-but-2-enedioate; 2-(4-prop-2-enylpiperazin-1-yl)-4-propoxyquinazoline Traditional Name: 2-(4-allylpiperazino)-4-propoxy-quinazoline fumarate Formula: C22H26N4O5-2 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C18H24N4O.C4H4O4/c1-3-9-21-10-12-22(13-11-21)18-19-16-8-6-5-7-15(16)17(20-18)23-14-4-2;5-3(6)1-2-4(7)8/h3,5-8H,1,4,9-14H2,2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+