methyl 4-[[[2-chloranyl-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-chloranyl-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[2-chloro-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzoate CAS Name: 4-[[[2-chloro-9-(2-methoxyethyl)-6-purinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-chloro-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzoate Traditional Name: 4-[[[2-chloro-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzoic acid methyl ester Formula: C17H18ClN5O3 MolecularWeight: 375.80952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O3/c1-25-8-7-23-10-20-13-14(21-17(18)22-15(13)23)19-9-11-3-5-12(6-4-11)16(24)26-2/h3-6,10H,7-9H2,1-2H3,(H,19,21,22)