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

Systemtic Name: (E)-but-2-enedioate; 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxy-quinazoline Openeye Name: (E)-but-2-enedioate; 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxy-quinazoline CAS Name: (E)-2-butenedioate; 2-(2-but-2-enyl-1-piperazinyl)-4-pentoxyquinazoline IUPAC Name: (E)-but-2-enedioate; 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline Traditional Name: 4-amoxy-2-(2-but-2-enylpiperazino)quinazoline fumarate Formula: C25H32N4O5-2 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCNCC3CC=CC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCNCC3CC=CC.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

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