N-[(2-methoxyphenyl)methyl]-3-(7H-purin-6-ylamino)propanamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-3-(7H-purin-6-ylamino)propanamide Openeye Name: N-[(2-methoxyphenyl)methyl]-3-(7H-purin-6-ylamino)propanamide CAS Name: N-[(2-methoxyphenyl)methyl]-3-(7H-purin-6-ylamino)propanamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-3-(7H-purin-6-ylamino)propanamide Traditional Name: N-o-anisyl-3-(7H-purin-6-ylamino)propionamide Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CCNC2=NC=NC3=C2NC=N3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CCNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C16H18N6O2/c1-24-12-5-3-2-4-11(12)8-18-13(23)6-7-17-15-14-16(20-9-19-14)22-10-21-15/h2-5,9-10H,6-8H2,1H3,(H,18,23)(H2,17,19,20,21,22)