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

Systemtic Name: 2-[[[6-(2-methylpropanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: 2-[[[6-(2-methylpropanoylamino)quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-[(2-methyl-1-oxopropyl)amino]-4-quinazolinyl]amino]methylidene]propanedioate IUPAC Name: 2-[[[6-(2-methylpropanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(isobutyrylamino)quinazolin-4-yl]amino]methylene]malonate Formula: C16H14N4O5-2 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H16N4O5/c1-8(2)14(21)20-9-3-4-12-10(5-9)13(19-7-18-12)17-6-11(15(22)23)16(24)25/h3-8H,1-2H3,(H,20,21)(H,22,23)(H,24,25)(H,17,18,19)/p-2