3-[[4-(2-azanyl-5-carbamimidoyl-phenoxy)-7-(2-methylsulfonylethyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[4-(2-azanyl-5-carbamimidoyl-phenoxy)-7-(2-methylsulfonylethyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[4-(2-amino-5-carbamimidoyl-phenoxy)-7-(2-methylsulfonylethyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[4-(2-amino-5-carbamimidoylphenoxy)-7-(2-methylsulfonylethyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[4-(2-amino-5-carbamimidoylphenoxy)-7-(2-methylsulfonylethyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[4-(5-amidino-2-amino-phenoxy)-6-keto-7-(2-mesylethyl)-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C25H28N8O6S MolecularWeight: 568.60482

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C(=N)N)N)NC(=O)C(N3)CCS(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C(=N)N)N)NC(=O)C(N3)CCS(=O)(=O)C

InChI

InChI=1S/C25H28N8O6S/c1-33(2)24(35)14-5-4-6-15(11-14)38-25-31-21-19(30-22(34)17(29-21)9-10-40(3,36)37)23(32-25)39-18-12-13(20(27)28)7-8-16(18)26/h4-8,11-12,17H,9-10,26H2,1-3H3,(H3,27,28)(H,30,34)(H,29,31,32)