dimethyl 2-[[[6-(3-cyclopentylpropanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate

Systemtic Name: dimethyl 2-[[[6-(3-cyclopentylpropanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: dimethyl 2-[[[6-(3-cyclopentylpropanoylamino)quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-[(3-cyclopentyl-1-oxopropyl)amino]-4-quinazolinyl]amino]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[[6-(3-cyclopentylpropanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(3-cyclopentylpropanoylamino)quinazolin-4-yl]amino]methylene]malonic acid dimethyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC1=NC=NC2=C1C=C(C=C2)NC(=O)CCC3CCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C(=CNC1=NC=NC2=C1C=C(C=C2)NC(=O)CCC3CCCC3)C(=O)OC

InChI

InChI=1S/C22H26N4O5/c1-30-21(28)17(22(29)31-2)12-23-20-16-11-15(8-9-18(16)24-13-25-20)26-19(27)10-7-14-5-3-4-6-14/h8-9,11-14H,3-7,10H2,1-2H3,(H,26,27)(H,23,24,25)