N-[3-[(6-aminopurin-9-yl)methyl]phenyl]-2-azanyl-3-phenyl-propanamide

Systemtic Name: N-[3-[(6-aminopurin-9-yl)methyl]phenyl]-2-azanyl-3-phenyl-propanamide Openeye Name: 2-amino-N-[3-[(6-aminopurin-9-yl)methyl]phenyl]-3-phenyl-propanamide CAS Name: 2-amino-N-[3-[(6-aminopurin-9-yl)methyl]phenyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[3-[(6-aminopurin-9-yl)methyl]phenyl]-3-phenylpropanamide Traditional Name: N-[3-(adenin-9-ylmethyl)phenyl]-2-amino-3-phenyl-propionamide Formula: C21H21N7O MolecularWeight: 387.43774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=C2)CN3C=NC4=C3N=CN=C4N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=C2)CN3C=NC4=C3N=CN=C4N)N

InChI

InChI=1S/C21H21N7O/c22-17(10-14-5-2-1-3-6-14)21(29)27-16-8-4-7-15(9-16)11-28-13-26-18-19(23)24-12-25-20(18)28/h1-9,12-13,17H,10-11,22H2,(H,27,29)(H2,23,24,25)