ethyl 3-[(2-chloranyl-7H-purin-6-yl)amino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[(2-chloranyl-7H-purin-6-yl)amino]-2-methyl-benzoate Openeye Name: ethyl 3-[(2-chloro-7H-purin-6-yl)amino]-2-methyl-benzoate CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-7H-purin-6-yl)amino]-2-methylbenzoate Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-2-methyl-benzoic acid ethyl ester Formula: C15H14ClN5O2 MolecularWeight: 331.75696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC2=NC(=NC3=C2NC=N3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC2=NC(=NC3=C2NC=N3)Cl)C

InChI

InChI=1S/C15H14ClN5O2/c1-3-23-14(22)9-5-4-6-10(8(9)2)19-13-11-12(18-7-17-11)20-15(16)21-13/h4-7H,3H2,1-2H3,(H2,17,18,19,20,21)