8-(phenylmethyl)-1-propyl-3-[2-(1,2-thiazol-3-yl)ethyl]-7H-purine-2,6-dione

Systemtic Name: 8-(phenylmethyl)-1-propyl-3-[2-(1,2-thiazol-3-yl)ethyl]-7H-purine-2,6-dione Openeye Name: 8-benzyl-3-(2-isothiazol-3-ylethyl)-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(3-isothiazolyl)ethyl]-8-(phenylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-benzyl-1-propyl-3-[2-(1,2-thiazol-3-yl)ethyl]-7H-purine-2,6-dione Traditional Name: 8-benzyl-3-(2-isothiazol-3-ylethyl)-1-propyl-7H-purine-2,6-quinone Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-2-10-25-19(26)17-18(22-16(21-17)13-14-6-4-3-5-7-14)24(20(25)27)11-8-15-9-12-28-23-15/h3-7,9,12H,2,8,10-11,13H2,1H3,(H,21,22)