2-[2-(2-azanyl-5-carbamimidoyl-phenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]pentanediamide

Systemtic Name: 2-[2-(2-azanyl-5-carbamimidoyl-phenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]pentanediamide Openeye Name: 2-[2-(2-amino-5-carbamimidoyl-phenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]pentanediamide CAS Name: 2-[2-(2-amino-5-carbamimidoylphenoxy)-6-[2-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]pentanediamide IUPAC Name: 2-[2-(2-amino-5-carbamimidoylphenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]pentanediamide Traditional Name: 2-[2-(5-amidino-2-amino-phenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]glutaramide Formula: C27H30N10O5 MolecularWeight: 574.5911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(CCC(=O)N)C(=O)N)N=C(N=C2OC3=CC=CC=C3C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)N

Isomeric SMILES

CC1=NC2=C(N1C(CCC(=O)N)C(=O)N)N=C(N=C2OC3=CC=CC=C3C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)N

InChI

InChI=1S/C27H30N10O5/c1-13-33-21-24(37(13)17(23(32)39)10-11-20(29)38)34-27(42-19-12-14(22(30)31)8-9-16(19)28)35-25(21)41-18-7-5-4-6-15(18)26(40)36(2)3/h4-9,12,17H,10-11,28H2,1-3H3,(H2,29,38)(H3,30,31)(H2,32,39)