(E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-propoxy-quinazoline

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-propoxy-quinazoline Openeye Name: fumaric acid; 2-(4-methylpiperazin-1-yl)-4-propoxy-quinazoline CAS Name: (E)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)-4-propoxyquinazoline IUPAC Name: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-propoxyquinazoline Traditional Name: fumaric acid; 2-(4-methylpiperazino)-4-propoxy-quinazoline Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O.C4H4O4/c1-3-12-21-15-13-6-4-5-7-14(13)17-16(18-15)20-10-8-19(2)9-11-20;5-3(6)1-2-4(7)8/h4-7H,3,8-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+