3-[[4-(2-azanyl-5-carbamimidoyl-phenoxy)-7-(2-methylsulfonylethyl)-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[4-(2-azanyl-5-carbamimidoyl-phenoxy)-7-(2-methylsulfonylethyl)-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[4-(2-amino-5-carbamimidoyl-phenoxy)-7-(2-methylsulfonylethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[4-(2-amino-5-carbamimidoylphenoxy)-7-(2-methylsulfonylethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[4-(2-amino-5-carbamimidoylphenoxy)-7-(2-methylsulfonylethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[4-(5-amidino-2-amino-phenoxy)-6-keto-7-(2-mesylethyl)-5H-pyrimido[4,5-b][1,4]oxazin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C25H27N7O7S MolecularWeight: 569.58958

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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(O3)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(O3)CCS(=O)(=O)C

InChI

InChI=1S/C25H27N7O7S/c1-32(2)24(34)14-5-4-6-15(11-14)37-25-30-22-19(29-21(33)17(38-22)9-10-40(3,35)36)23(31-25)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,29,33)