4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]-N,N-diethyl-benzamide

Systemtic Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]-N,N-diethyl-benzamide Openeye Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]-N,N-diethyl-benzamide CAS Name: 4-carbamimidoyl-2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-7H-purin-2-yl]oxy]-N,N-diethylbenzamide IUPAC Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]-N,N-diethylbenzamide Traditional Name: 4-amidino-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]-N,N-diethyl-benzamide Formula: C27H30N8O4 MolecularWeight: 530.5783

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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)C(=O)N(C)C)NC(=N3)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)C(=O)N(C)C)NC(=N3)C

InChI

InChI=1S/C27H30N8O4/c1-6-35(7-2)26(37)19-12-11-16(22(28)29)14-20(19)39-27-32-23-21(30-15(3)31-23)24(33-27)38-18-10-8-9-17(13-18)25(36)34(4)5/h8-14H,6-7H2,1-5H3,(H3,28,29)(H,30,31,32,33)