N-[3,5-bis(chloranyl)phenyl]-3-(7H-purin-6-ylamino)propanamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-3-(7H-purin-6-ylamino)propanamide Openeye Name: N-(3,5-dichlorophenyl)-3-(7H-purin-6-ylamino)propanamide CAS Name: N-(3,5-dichlorophenyl)-3-(7H-purin-6-ylamino)propanamide IUPAC Name: N-(3,5-dichlorophenyl)-3-(7H-purin-6-ylamino)propanamide Traditional Name: N-(3,5-dichlorophenyl)-3-(7H-purin-6-ylamino)propionamide Formula: C14H12Cl2N6O MolecularWeight: 351.19068

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1Cl)Cl)NC(=O)CCNC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=C(C=C(C=C1Cl)Cl)NC(=O)CCNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H12Cl2N6O/c15-8-3-9(16)5-10(4-8)22-11(23)1-2-17-13-12-14(19-6-18-12)21-7-20-13/h3-7H,1-2H2,(H,22,23)(H2,17,18,19,20,21)