methyl 2-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]carbamoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]carbamoylamino]-3-phenyl-propanoate CAS Name: 2-[[[[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]amino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]carbamoylamino]-3-phenylpropanoate Traditional Name: 2-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]carbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C27H34N6O3 MolecularWeight: 490.59726

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)NC(CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)NC(CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H34N6O3/c1-33(2)24-21-11-7-8-12-22(21)30-26(32-24)28-19-13-15-20(16-14-19)29-27(35)31-23(25(34)36-3)17-18-9-5-4-6-10-18/h4-12,19-20,23H,13-17H2,1-3H3,(H,28,30,32)(H2,29,31,35)