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

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-8-(1,3-oxazol-2-ylmethyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-8-(oxazol-2-ylmethyl)-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-8-(2-oxazolylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-8-(1,3-oxazol-2-ylmethyl)-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-8-(oxazol-2-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=NC=CO3)N(C1=O)CCC4=CC=C(C=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=CO3)N(C1=O)CCC4=CC=C(C=C4)N

InChI

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