4-[[[4-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7-oxo-pyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[4-[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-methyl-7-oxo-8-pyrido[2,3-d]pyrimidinyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-[2-[4-(2-furoyl)piperazino]-7-keto-4-methyl-pyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid Formula: C32H28N6O6 MolecularWeight: 592.60132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=C(C=C5)C(=O)NCC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=C(C=C5)C(=O)NCC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C32H28N6O6/c1-20-25-12-13-27(39)38(24-10-8-22(9-11-24)29(40)33-19-21-4-6-23(7-5-21)31(42)43)28(25)35-32(34-20)37-16-14-36(15-17-37)30(41)26-3-2-18-44-26/h2-13,18H,14-17,19H2,1H3,(H,33,40)(H,42,43)