4-carbamimidoyl-2-[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-9-(phenylmethyl)purin-6-yl]oxy-benzamide

Systemtic Name: 4-carbamimidoyl-2-[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-9-(phenylmethyl)purin-6-yl]oxy-benzamide Openeye Name: 2-[9-benzyl-8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-carbamimidoyl-benzamide CAS Name: 4-carbamimidoyl-2-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-9-(phenylmethyl)-6-purinyl]oxy]benzamide IUPAC Name: 2-[9-benzyl-8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-carbamimidoylbenzamide Traditional Name: 4-amidino-2-[9-benzyl-8-methyl-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]purin-6-yl]oxy-benzamide Formula: C31H29N9O3 MolecularWeight: 575.62046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=C(C=CC(=C4)C(=N)N)C(=O)N)OC5=CC=CC(=C5)C6=NCCN6C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=C(C=CC(=C4)C(=N)N)C(=O)N)OC5=CC=CC(=C5)C6=NCCN6C

InChI

InChI=1S/C31H29N9O3/c1-18-36-25-29(40(18)17-19-7-4-3-5-8-19)37-31(42-22-10-6-9-21(15-22)28-35-13-14-39(28)2)38-30(25)43-24-16-20(26(32)33)11-12-23(24)27(34)41/h3-12,15-16H,13-14,17H2,1-2H3,(H3,32,33)(H2,34,41)