3-[[1-[2-(2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethyl]indazol-5-yl]carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[[1-[2-(2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethyl]indazol-5-yl]carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[[1-[2-(2-amino-4-oxo-1H-pyrimidin-6-yl)ethyl]indazole-5-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-[[[1-[2-(2-amino-4-oxo-1H-pyrimidin-6-yl)ethyl]-5-indazolyl]-oxomethyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[[1-[2-(2-amino-4-oxo-1H-pyrimidin-6-yl)ethyl]indazole-5-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[[1-[2-(2-amino-4-keto-1H-pyrimidin-6-yl)ethyl]indazole-5-carbonyl]amino]-2-(mesitylsulfonylamino)propionic acid Formula: C26H29N7O6S MolecularWeight: 567.61676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)C2=CC3=C(C=C2)N(N=C3)CCC4=CC(=O)N=C(N4)N)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)C2=CC3=C(C=C2)N(N=C3)CCC4=CC(=O)N=C(N4)N)C(=O)O)C

InChI

InChI=1S/C26H29N7O6S/c1-14-8-15(2)23(16(3)9-14)40(38,39)32-20(25(36)37)13-28-24(35)17-4-5-21-18(10-17)12-29-33(21)7-6-19-11-22(34)31-26(27)30-19/h4-5,8-12,20,32H,6-7,13H2,1-3H3,(H,28,35)(H,36,37)(H3,27,30,31,34)