N-(2-aminophenyl)-4-[[[2-chloranyl-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[[[2-chloranyl-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[[2-chloro-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[2-chloro-9-(2-methoxyethyl)-6-purinyl]amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[[2-chloro-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[[2-chloro-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzamide Formula: C22H22ClN7O2 MolecularWeight: 451.90878

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)Cl

Isomeric SMILES

COCCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)Cl

InChI

InChI=1S/C22H22ClN7O2/c1-32-11-10-30-13-26-18-19(28-22(23)29-20(18)30)25-12-14-6-8-15(9-7-14)21(31)27-17-5-3-2-4-16(17)24/h2-9,13H,10-12,24H2,1H3,(H,27,31)(H,25,28,29)