2-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C16H17ClN6O4 MolecularWeight: 392.79698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C16H17ClN6O4/c1-25-9-4-8(5-10(26-2)13(9)27-3)21-11(24)6-18-14-12-15(20-7-19-12)23-16(17)22-14/h4-5,7H,6H2,1-3H3,(H,21,24)(H2,18,19,20,22,23)