(E)-but-2-enedioic acid; 4-methoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline

Systemtic Name: (E)-but-2-enedioic acid; 4-methoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline Openeye Name: fumaric acid; 4-methoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline CAS Name: (E)-2-butenedioic acid; 4-methoxy-2-(1-piperazinyl)-5,6,7,8-tetrahydroquinazoline IUPAC Name: (E)-but-2-enedioic acid; 4-methoxy-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline Traditional Name: fumaric acid; 4-methoxy-2-piperazino-5,6,7,8-tetrahydroquinazoline Formula: C17H24N4O5 MolecularWeight: 364.39626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1CCCC2)N3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=NC(=NC2=C1CCCC2)N3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H20N4O.C4H4O4/c1-18-12-10-4-2-3-5-11(10)15-13(16-12)17-8-6-14-7-9-17;5-3(6)1-2-4(7)8/h14H,2-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+