2-[[[6-(3-cyclopentylpropanoylamino)quinazolin-4-yl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[[6-(3-cyclopentylpropanoylamino)quinazolin-4-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[[6-(3-cyclopentylpropanoylamino)quinazolin-4-yl]amino]methylene]propanedioic acid CAS Name: 2-[[[6-[(3-cyclopentyl-1-oxopropyl)amino]-4-quinazolinyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[6-(3-cyclopentylpropanoylamino)quinazolin-4-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[[6-(3-cyclopentylpropanoylamino)quinazolin-4-yl]amino]methylene]malonic acid Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC2=CC3=C(C=C2)N=CN=C3NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)NC2=CC3=C(C=C2)N=CN=C3NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C20H22N4O5/c25-17(8-5-12-3-1-2-4-12)24-13-6-7-16-14(9-13)18(23-11-22-16)21-10-15(19(26)27)20(28)29/h6-7,9-12H,1-5,8H2,(H,24,25)(H,26,27)(H,28,29)(H,21,22,23)