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

Systemtic Name: (E)-but-2-enedioate; 4-(2-methylpentoxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline Openeye Name: 2-(4-allylpiperazin-1-yl)-4-(2-methylpentoxy)quinazoline; (E)-but-2-enedioate CAS Name: (E)-2-butenedioate; 4-(2-methylpentoxy)-2-(4-prop-2-enyl-1-piperazinyl)quinazoline IUPAC Name: (E)-but-2-enedioate; 4-(2-methylpentoxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline Traditional Name: 2-(4-allylpiperazino)-4-(2-methylpentoxy)quinazoline fumarate Formula: C25H32N4O5-2 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)COC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC(C)COC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C21H30N4O.C4H4O4/c1-4-8-17(3)16-26-20-18-9-6-7-10-19(18)22-21(23-20)25-14-12-24(11-5-2)13-15-25;5-3(6)1-2-4(7)8/h5-7,9-10,17H,2,4,8,11-16H2,1,3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+