2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)amino]phenyl]carbonylamino]-5-oxidanylidene-9-pyridin-2-ylsulfanyl-nonanoic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)amino]phenyl]carbonylamino]-5-oxidanylidene-9-pyridin-2-ylsulfanyl-nonanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]benzoyl]amino]-5-oxo-9-(2-pyridylsulfanyl)nonanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]phenyl]-oxomethyl]amino]-5-oxo-9-(2-pyridinylthio)nonanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]benzoyl]amino]-5-oxo-9-pyridin-2-ylsulfanylnonanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)amino]benzoyl]amino]-5-keto-9-(2-pyridylthio)pelargonic acid Formula: C27H28N8O5S MolecularWeight: 576.62682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCCCCC(=O)CCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NC3=CN=C4C(=N3)C(=O)N=C(N4)N

Isomeric SMILES

C1=CC=NC(=C1)SCCCCC(=O)CCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NC3=CN=C4C(=N3)C(=O)N=C(N4)N

InChI

InChI=1S/C27H28N8O5S/c28-27-34-23-22(25(38)35-27)33-20(15-30-23)31-17-9-7-16(8-10-17)24(37)32-19(26(39)40)12-11-18(36)5-2-4-14-41-21-6-1-3-13-29-21/h1,3,6-10,13,15,19H,2,4-5,11-12,14H2,(H,31,33)(H,32,37)(H,39,40)(H3,28,30,34,35,38)