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

Systemtic Name: 3-[2-(2-aminophenyl)ethyl]-8-(1,2-oxazol-4-ylmethyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(2-aminophenyl)ethyl]-8-(isoxazol-4-ylmethyl)-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(2-aminophenyl)ethyl]-8-(4-isoxazolylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(2-aminophenyl)ethyl]-8-(1,2-oxazol-4-ylmethyl)-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(2-aminophenyl)ethyl]-8-(isoxazol-4-ylmethyl)-1-propyl-7H-purine-2,6-quinone Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CON=C3)N(C1=O)CCC4=CC=CC=C4N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CON=C3)N(C1=O)CCC4=CC=CC=C4N

InChI

InChI=1S/C20H22N6O3/c1-2-8-26-19(27)17-18(24-16(23-17)10-13-11-22-29-12-13)25(20(26)28)9-7-14-5-3-4-6-15(14)21/h3-6,11-12H,2,7-10,21H2,1H3,(H,23,24)