ethyl 2-[[9-(1-chloroethyl)purin-6-yl]amino]benzoate

Systemtic Name: ethyl 2-[[9-(1-chloroethyl)purin-6-yl]amino]benzoate Openeye Name: ethyl 2-[[9-(1-chloroethyl)purin-6-yl]amino]benzoate CAS Name: 2-[[9-(1-chloroethyl)-6-purinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[9-(1-chloroethyl)purin-6-yl]amino]benzoate Traditional Name: 2-[[9-(1-chloroethyl)purin-6-yl]amino]benzoic acid ethyl ester Formula: C16H16ClN5O2 MolecularWeight: 345.78354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=NC=NC3=C2N=CN3C(C)Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=NC=NC3=C2N=CN3C(C)Cl

InChI

InChI=1S/C16H16ClN5O2/c1-3-24-16(23)11-6-4-5-7-12(11)21-14-13-15(19-8-18-14)22(9-20-13)10(2)17/h4-10H,3H2,1-2H3,(H,18,19,21)