3-[9-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[9-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-9-(1-carbamoyl-3-methyl-butyl)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[9-(1-amino-4-methyl-1-oxopentan-2-yl)-2-(5-carbamimidoyl-2-ethoxyphenoxy)-8-methyl-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-(1-amino-4-methyl-1-oxopentan-2-yl)-2-(5-carbamimidoyl-2-ethoxyphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(5-amidino-2-ethoxy-phenoxy)-9-(1-carbamoyl-3-methyl-butyl)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C30H36N8O5 MolecularWeight: 588.65744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)N=C(N3C(CC(C)C)C(=O)N)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)N=C(N3C(CC(C)C)C(=O)N)C

InChI

InChI=1S/C30H36N8O5/c1-7-41-22-12-11-18(25(31)32)15-23(22)43-30-35-27-24(34-17(4)38(27)21(26(33)39)13-16(2)3)28(36-30)42-20-10-8-9-19(14-20)29(40)37(5)6/h8-12,14-16,21H,7,13H2,1-6H3,(H3,31,32)(H2,33,39)