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

Systemtic Name: 2-[[[6-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: 2-[[[6-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-(4-methyl-1-piperazinyl)-4-quinazolinyl]amino]methylidene]propanedioate IUPAC Name: 2-[[[6-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(4-methylpiperazino)quinazolin-4-yl]amino]methylene]malonate Formula: C17H17N5O4-2 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=C2)N=CN=C3NC=C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)N=CN=C3NC=C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H19N5O4/c1-21-4-6-22(7-5-21)11-2-3-14-12(8-11)15(20-10-19-14)18-9-13(16(23)24)17(25)26/h2-3,8-10H,4-7H2,1H3,(H,23,24)(H,25,26)(H,18,19,20)/p-2