3-(7H-purin-6-ylamino)-N-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: 3-(7H-purin-6-ylamino)-N-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: 3-(7H-purin-6-ylamino)-N-(3,4,5-trimethoxyphenyl)propanamide CAS Name: 3-(7H-purin-6-ylamino)-N-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: 3-(7H-purin-6-ylamino)-N-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: 3-(7H-purin-6-ylamino)-N-(3,4,5-trimethoxyphenyl)propionamide Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CCNC2=NC=NC3=C2NC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CCNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C17H20N6O4/c1-25-11-6-10(7-12(26-2)15(11)27-3)23-13(24)4-5-18-16-14-17(20-8-19-14)22-9-21-16/h6-9H,4-5H2,1-3H3,(H,23,24)(H2,18,19,20,21,22)