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

Systemtic Name: 2-carbamimidoyl-5-[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-9-(phenylmethyl)purin-6-yl]oxy-benzamide Openeye Name: 5-[9-benzyl-8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]purin-6-yl]oxy-2-carbamimidoyl-benzamide CAS Name: 2-carbamimidoyl-5-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-9-(phenylmethyl)-6-purinyl]oxy]benzamide IUPAC Name: 5-[9-benzyl-8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]purin-6-yl]oxy-2-carbamimidoylbenzamide Traditional Name: 2-amidino-5-[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=CC(=C(C=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=CC(=C(C=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(43-21-10-6-9-20(15-21)28-35-13-14-39(28)2)38-30(25)42-22-11-12-23(26(32)33)24(16-22)27(34)41/h3-12,15-16H,13-14,17H2,1-2H3,(H3,32,33)(H2,34,41)