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

Systemtic Name: 2-[[[6-(hexanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: 2-[[[6-(hexanoylamino)quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-(1-oxohexylamino)-4-quinazolinyl]amino]methylidene]propanedioate IUPAC Name: 2-[[[6-(hexanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(caproylamino)quinazolin-4-yl]amino]methylene]malonate Formula: C18H18N4O5-2 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5/c1-2-3-4-5-15(23)22-11-6-7-14-12(8-11)16(21-10-20-14)19-9-13(17(24)25)18(26)27/h6-10H,2-5H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H,19,20,21)/p-2