3-[[1-[(2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]indazol-5-yl]carbonylamino]-2-(naphthalen-1-ylsulfonylamino)propanoic acid

Systemtic Name: 3-[[1-[(2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]indazol-5-yl]carbonylamino]-2-(naphthalen-1-ylsulfonylamino)propanoic acid Openeye Name: 3-[[1-[(2-amino-4-oxo-1H-pyrimidin-6-yl)methyl]indazole-5-carbonyl]amino]-2-(1-naphthylsulfonylamino)propanoic acid CAS Name: 3-[[[1-[(2-amino-4-oxo-1H-pyrimidin-6-yl)methyl]-5-indazolyl]-oxomethyl]amino]-2-(1-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-[[1-[(2-amino-4-oxo-1H-pyrimidin-6-yl)methyl]indazole-5-carbonyl]amino]-2-(naphthalen-1-ylsulfonylamino)propanoic acid Traditional Name: 3-[[1-[(2-amino-4-keto-1H-pyrimidin-6-yl)methyl]indazole-5-carbonyl]amino]-2-(1-naphthylsulfonylamino)propionic acid Formula: C26H23N7O6S MolecularWeight: 561.56912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CNC(=O)C3=CC4=C(C=C3)N(N=C4)CC5=CC(=O)N=C(N5)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CNC(=O)C3=CC4=C(C=C3)N(N=C4)CC5=CC(=O)N=C(N5)N)C(=O)O

InChI

InChI=1S/C26H23N7O6S/c27-26-30-18(11-23(34)31-26)14-33-21-9-8-16(10-17(21)12-29-33)24(35)28-13-20(25(36)37)32-40(38,39)22-7-3-5-15-4-1-2-6-19(15)22/h1-12,20,32H,13-14H2,(H,28,35)(H,36,37)(H3,27,30,31,34)