diethyl 2-[[[6-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[6-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[6-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-(4-methyl-1-piperazinyl)-4-quinazolinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[6-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(4-methylpiperazino)quinazolin-4-yl]amino]methylene]malonic acid diethyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC=NC2=C1C=C(C=C2)N3CCN(CC3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC=NC2=C1C=C(C=C2)N3CCN(CC3)C)C(=O)OCC

InChI

InChI=1S/C21H27N5O4/c1-4-29-20(27)17(21(28)30-5-2)13-22-19-16-12-15(6-7-18(16)23-14-24-19)26-10-8-25(3)9-11-26/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,22,23,24)