2-ethyl-2-[ethyl-[4-[(4-oxidanylidene-2-pyrimidin-2-ylsulfanyl-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonyl-amino]pentanedioic acid

Systemtic Name: 2-ethyl-2-[ethyl-[4-[(4-oxidanylidene-2-pyrimidin-2-ylsulfanyl-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonyl-amino]pentanedioic acid Openeye Name: 2-ethyl-2-[ethyl-[4-[(4-oxo-2-pyrimidin-2-ylsulfanyl-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-ethyl-2-[ethyl-[oxo-[4-[[4-oxo-2-(2-pyrimidinylthio)-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-ethyl-2-[ethyl-[4-[(4-oxo-2-pyrimidin-2-ylsulfanyl-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-ethyl-2-[ethyl-[4-[[4-keto-2-(2-pyrimidylthio)-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C32H32N6O6S MolecularWeight: 628.69808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)SC4=NC=CC=N4

Isomeric SMILES

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)SC4=NC=CC=N4

InChI

InChI=1S/C32H32N6O6S/c1-4-18-37(20-21-8-13-25-24(19-21)27(41)36-31(35-25)45-30-33-16-7-17-34-30)23-11-9-22(10-12-23)28(42)38(6-3)32(5-2,29(43)44)15-14-26(39)40/h1,7-13,16-17,19H,5-6,14-15,18,20H2,2-3H3,(H,39,40)(H,43,44)(H,35,36,41)