3-[(2-chloranyl-7H-purin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C16H15ClN6O3 MolecularWeight: 374.7817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C16H15ClN6O3/c17-16-22-14(13-15(23-16)20-8-19-13)18-4-3-12(24)21-9-1-2-10-11(7-9)26-6-5-25-10/h1-2,7-8H,3-6H2,(H,21,24)(H2,18,19,20,22,23)