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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3,4,5-trimethoxyphenyl)propionamide Formula: C17H19ClN6O4 MolecularWeight: 406.82356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C17H19ClN6O4/c1-26-10-6-9(7-11(27-2)14(10)28-3)22-12(25)4-5-19-15-13-16(21-8-20-13)24-17(18)23-15/h6-8H,4-5H2,1-3H3,(H,22,25)(H2,19,20,21,23,24)