2-[2-[2-azanyl-3-(3-carbamimidoylphenoxy)-6-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]pentanediamide

Systemtic Name: 2-[2-[2-azanyl-3-(3-carbamimidoylphenoxy)-6-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]pentanediamide Openeye Name: 2-[2-[2-amino-3-(3-carbamimidoylphenoxy)-6-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]pentanediamide CAS Name: 2-[2-[2-amino-3-(3-carbamimidoylphenoxy)-6-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]pentanediamide IUPAC Name: 2-[2-[2-amino-3-(3-carbamimidoylphenoxy)-6-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]pentanediamide Traditional Name: 2-[2-[3-(3-amidinophenoxy)-2-amino-6-(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=CN=C(N=C2N1C(CCC(=O)N)C(=O)N)OC3=C(C=CC(=C3N)OC4=CC=CC(=C4)C(=N)N)C(=O)N(C)C

Isomeric SMILES

CC1=NC2=CN=C(N=C2N1C(CCC(=O)N)C(=O)N)OC3=C(C=CC(=C3N)OC4=CC=CC(=C4)C(=N)N)C(=O)N(C)C

InChI

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