N-(1,3-benzodioxol-5-yl)-3-(7H-purin-6-ylamino)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(7H-purin-6-ylamino)propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(7H-purin-6-ylamino)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(7H-purin-6-ylamino)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(7H-purin-6-ylamino)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(7H-purin-6-ylamino)propionamide Formula: C15H14N6O3 MolecularWeight: 326.31006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCNC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCNC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C15H14N6O3/c22-12(21-9-1-2-10-11(5-9)24-8-23-10)3-4-16-14-13-15(18-6-17-13)20-7-19-14/h1-2,5-7H,3-4,8H2,(H,21,22)(H2,16,17,18,19,20)