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

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(1,2-thiazol-3-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-8-(isothiazol-3-ylmethyl)-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-8-(3-isothiazolylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(1,2-thiazol-3-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-8-(isothiazol-3-ylmethyl)-1-propyl-7H-purine-2,6-quinone Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=NSC=C3)N(C1=O)CCC4=CC=C(C=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=NSC=C3)N(C1=O)CCC4=CC=C(C=C4)N

InChI

InChI=1S/C20H22N6O2S/c1-2-9-26-19(27)17-18(23-16(22-17)12-15-8-11-29-24-15)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,22,23)