3-[2-(2-azanyl-5-carbamimidoyl-phenoxy)-9-[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[2-(2-azanyl-5-carbamimidoyl-phenoxy)-9-[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[2-(2-amino-5-carbamimidoyl-phenoxy)-9-[2-amino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-amino-5-carbamimidoylphenoxy)-9-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-8-methyl-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[2-(2-amino-5-carbamimidoylphenoxy)-9-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(5-amidino-2-amino-phenoxy)-9-[2-amino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C28H29N11O4 MolecularWeight: 583.60116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(CC3=CN=CN3)C(=O)N)N=C(N=C2OC4=CC=CC(=C4)C(=O)N(C)C)OC5=C(C=CC(=C5)C(=N)N)N

Isomeric SMILES

CC1=NC2=C(N1C(CC3=CN=CN3)C(=O)N)N=C(N=C2OC4=CC=CC(=C4)C(=O)N(C)C)OC5=C(C=CC(=C5)C(=N)N)N

InChI

InChI=1S/C28H29N11O4/c1-14-35-22-25(39(14)20(24(32)40)11-17-12-33-13-34-17)36-28(43-21-10-15(23(30)31)7-8-19(21)29)37-26(22)42-18-6-4-5-16(9-18)27(41)38(2)3/h4-10,12-13,20H,11,29H2,1-3H3,(H3,30,31)(H2,32,40)(H,33,34)