N-(3,5-dimethoxyphenyl)-3-(7H-purin-6-ylamino)propanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-(7H-purin-6-ylamino)propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-(7H-purin-6-ylamino)propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-(7H-purin-6-ylamino)propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-(7H-purin-6-ylamino)propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-(7H-purin-6-ylamino)propionamide Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCNC2=NC=NC3=C2NC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CCNC2=NC=NC3=C2NC=N3)OC

InChI

InChI=1S/C16H18N6O3/c1-24-11-5-10(6-12(7-11)25-2)22-13(23)3-4-17-15-14-16(19-8-18-14)21-9-20-15/h5-9H,3-4H2,1-2H3,(H,22,23)(H2,17,18,19,20,21)