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

Systemtic Name: 8-(phenylmethyl)-1-propyl-3-[2-(2H-1,3-thiazol-3-yl)ethyl]-7H-purine-2,6-dione Openeye Name: 8-benzyl-1-propyl-3-[2-(2H-thiazol-3-yl)ethyl]-7H-purine-2,6-dione CAS Name: 8-(phenylmethyl)-1-propyl-3-[2-(2H-thiazol-3-yl)ethyl]-7H-purine-2,6-dione IUPAC Name: 8-benzyl-1-propyl-3-[2-(2H-1,3-thiazol-3-yl)ethyl]-7H-purine-2,6-dione Traditional Name: 8-benzyl-1-propyl-3-[2-(4-thiazolin-3-yl)ethyl]-7H-purine-2,6-quinone Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCN4CSC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCN4CSC=C4

InChI

InChI=1S/C20H23N5O2S/c1-2-8-25-19(26)17-18(22-16(21-17)13-15-6-4-3-5-7-15)24(20(25)27)10-9-23-11-12-28-14-23/h3-7,11-12H,2,8-10,13-14H2,1H3,(H,21,22)