dimethyl 2-[[(cyclohexylcarbonylamino)-quinazolin-4-yl-amino]methylidene]propanedioate

Systemtic Name: dimethyl 2-[[(cyclohexylcarbonylamino)-quinazolin-4-yl-amino]methylidene]propanedioate Openeye Name: dimethyl 2-[[(cyclohexanecarbonylamino)-quinazolin-4-yl-amino]methylene]propanedioate CAS Name: 2-[[[[cyclohexyl(oxo)methyl]amino]-(4-quinazolinyl)amino]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(cyclohexanecarbonylamino)-quinazolin-4-ylamino]methylidene]propanedioate Traditional Name: 2-[[(cyclohexanecarbonylamino)-quinazolin-4-yl-amino]methylene]malonic acid dimethyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CN(C1=NC=NC2=CC=CC=C21)NC(=O)C3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C(=CN(C1=NC=NC2=CC=CC=C21)NC(=O)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C21H24N4O5/c1-29-20(27)16(21(28)30-2)12-25(24-19(26)14-8-4-3-5-9-14)18-15-10-6-7-11-17(15)22-13-23-18/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,24,26)