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(E)-but-2-enedioic acid; 4-pentoxy-2-piperazin-1-yl-quinazoline

(E)-but-2-enedioic acid; 4-pentoxy-2-piperazin-1-yl-quinazoline

Systemtic Name:(E)-but-2-enedioic acid; 4-pentoxy-2-piperazin-1-yl-quinazoline
Openeye Name:fumaric acid; 4-pentoxy-2-piperazin-1-yl-quinazoline
CAS Name:(E)-2-butenedioic acid; 4-pentoxy-2-(1-piperazinyl)quinazoline
IUPAC Name:(E)-but-2-enedioic acid; 4-pentoxy-2-piperazin-1-ylquinazoline
Traditional Name:4-amoxy-2-piperazino-quinazoline; fumaric acid
Formula: C21H28N4O5
MolecularWeight: 416.47082
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCNCC3.C(=CC(=O)O)C(=O)O


Isomeric SMILES

CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCNCC3.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C17H24N4O.C4H4O4/c1-2-3-6-13-22-16-14-7-4-5-8-15(14)19-17(20-16)21-11-9-18-10-12-21;5-3(6)1-2-4(7)8/h4-5,7-8,18H,2-3,6,9-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+


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