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

Systemtic Name: 3-[9-(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)-2-(5-carbamimidoyl-2-methoxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-9-(1-carbamoyl-2-methyl-propyl)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[9-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(5-carbamimidoyl-2-methoxyphenoxy)-8-methyl-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(5-carbamimidoyl-2-methoxyphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(5-amidino-2-methoxy-phenoxy)-9-(1-carbamoyl-2-methyl-propyl)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C28H32N8O5 MolecularWeight: 560.60428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(C(C)C)C(=O)N)N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC

Isomeric SMILES

CC1=NC2=C(N1C(C(C)C)C(=O)N)N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC

InChI

InChI=1S/C28H32N8O5/c1-14(2)22(24(31)37)36-15(3)32-21-25(36)33-28(41-20-13-16(23(29)30)10-11-19(20)39-6)34-26(21)40-18-9-7-8-17(12-18)27(38)35(4)5/h7-14,22H,1-6H3,(H3,29,30)(H2,31,37)