2-[[4-[(7-bromanyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-oxidanylidene-5-(pyridin-2-ylamino)pentanoic acid

Systemtic Name: 2-[[4-[(7-bromanyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-oxidanylidene-5-(pyridin-2-ylamino)pentanoic acid Openeye Name: 2-[[4-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-5-oxo-5-(2-pyridylamino)pentanoic acid CAS Name: 2-[[[4-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-5-oxo-5-(2-pyridinylamino)pentanoic acid IUPAC Name: 2-[[4-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxo-5-(pyridin-2-ylamino)pentanoic acid Traditional Name: 2-[[4-[(7-bromo-4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-5-keto-5-(2-pyridylamino)valeric acid Formula: C30H27BrN6O5 MolecularWeight: 631.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=CC(=C(C=C2N1)Br)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC4=CC=CC=N4)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=CC(=C(C=C2N1)Br)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C30H27BrN6O5/c1-3-14-37(17-20-15-22-25(16-23(20)31)33-18(2)34-29(22)40)21-9-7-19(8-10-21)28(39)35-24(30(41)42)11-12-27(38)36-26-6-4-5-13-32-26/h1,4-10,13,15-16,24H,11-12,14,17H2,2H3,(H,35,39)(H,41,42)(H,32,36,38)(H,33,34,40)