ethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]butanoate

Systemtic Name: ethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]butanoate Openeye Name: ethyl 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]butanoate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]butyric acid ethyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C25H27N5O4/c1-4-13-30(15-16-7-12-21-19(14-16)23(32)29-25(26)28-21)18-10-8-17(9-11-18)22(31)27-20(5-2)24(33)34-6-3/h1,7-12,14,20H,5-6,13,15H2,2-3H3,(H,27,31)(H3,26,28,29,32)