2-[6-(3-azanylphenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-4-carbamimidoyl-N,N-diethyl-benzamide

Systemtic Name: 2-[6-(3-azanylphenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-4-carbamimidoyl-N,N-diethyl-benzamide Openeye Name: 2-[6-(3-aminophenoxy)-9-benzyl-8-methyl-purin-2-yl]oxy-4-carbamimidoyl-N,N-diethyl-benzamide CAS Name: 2-[[6-(3-aminophenoxy)-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]-4-carbamimidoyl-N,N-diethylbenzamide IUPAC Name: 2-[6-(3-aminophenoxy)-9-benzyl-8-methylpurin-2-yl]oxy-4-carbamimidoyl-N,N-diethylbenzamide Traditional Name: 4-amidino-2-[6-(3-aminophenoxy)-9-benzyl-8-methyl-purin-2-yl]oxy-N,N-diethyl-benzamide Formula: C31H32N8O3 MolecularWeight: 564.63758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)N)N=C(N3CC5=CC=CC=C5)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)N)N=C(N3CC5=CC=CC=C5)C

InChI

InChI=1S/C31H32N8O3/c1-4-38(5-2)30(40)24-15-14-21(27(33)34)16-25(24)42-31-36-28-26(29(37-31)41-23-13-9-12-22(32)17-23)35-19(3)39(28)18-20-10-7-6-8-11-20/h6-17H,4-5,18,32H2,1-3H3,(H3,33,34)