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

Systemtic Name: (E)-but-2-enedioic acid; 4-ethylsulfanyl-2-(4-methylpiperazin-1-yl)quinazoline Openeye Name: 4-ethylsulfanyl-2-(4-methylpiperazin-1-yl)quinazoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(ethylthio)-2-(4-methyl-1-piperazinyl)quinazoline IUPAC Name: (E)-but-2-enedioic acid; 4-ethylsulfanyl-2-(4-methylpiperazin-1-yl)quinazoline Traditional Name: 4-(ethylthio)-2-(4-methylpiperazino)quinazoline; fumaric acid Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCSC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20N4S.C4H4O4/c1-3-20-14-12-6-4-5-7-13(12)16-15(17-14)19-10-8-18(2)9-11-19;5-3(6)1-2-4(7)8/h4-7H,3,8-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+