3-[2-(3-aminophenyl)ethyl]-8-(1,2,4-oxadiazol-5-ylmethyl)-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-[2-(3-aminophenyl)ethyl]-8-(1,2,4-oxadiazol-5-ylmethyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(3-aminophenyl)ethyl]-8-(1,2,4-oxadiazol-5-ylmethyl)-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(3-aminophenyl)ethyl]-8-(1,2,4-oxadiazol-5-ylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(3-aminophenyl)ethyl]-8-(1,2,4-oxadiazol-5-ylmethyl)-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(3-aminophenyl)ethyl]-8-(1,2,4-oxadiazol-5-ylmethyl)-1-propyl-7H-purine-2,6-quinone Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=NO3)N(C1=O)CCC4=CC(=CC=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=NO3)N(C1=O)CCC4=CC(=CC=C4)N

InChI

InChI=1S/C19H21N7O3/c1-2-7-26-18(27)16-17(24-14(23-16)10-15-21-11-22-29-15)25(19(26)28)8-6-12-4-3-5-13(20)9-12/h3-5,9,11H,2,6-8,10,20H2,1H3,(H,23,24)