methyl 5-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]pyridine-2-carboxylate

Systemtic Name: methyl 5-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]pyridine-2-carboxylate Openeye Name: methyl 5-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]pyridine-2-carboxylate CAS Name: 5-[[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,7-dimethyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]pyridine-2-carboxylate Traditional Name: 5-[[4-keto-2,7-dimethyl-3-(pivaloyloxymethyl)quinazolin-6-yl]methyl-propargyl-amino]picolinic acid methyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N=C(N(C2=O)COC(=O)C(C)(C)C)C)CN(CC#C)C3=CN=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)N=C(N(C2=O)COC(=O)C(C)(C)C)C)CN(CC#C)C3=CN=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H30N4O5/c1-8-11-30(20-9-10-22(28-14-20)25(33)35-7)15-19-13-21-23(12-17(19)2)29-18(3)31(24(21)32)16-36-26(34)27(4,5)6/h1,9-10,12-14H,11,15-16H2,2-7H3