7-(3-methoxypropyl)-3-(phenylmethyl)-8-(2-phenyl-1,3-thiazol-4-yl)purine-2,6-dione

Systemtic Name: 7-(3-methoxypropyl)-3-(phenylmethyl)-8-(2-phenyl-1,3-thiazol-4-yl)purine-2,6-dione Openeye Name: 3-benzyl-7-(3-methoxypropyl)-8-(2-phenylthiazol-4-yl)purine-2,6-dione CAS Name: 7-(3-methoxypropyl)-3-(phenylmethyl)-8-(2-phenyl-4-thiazolyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(3-methoxypropyl)-8-(2-phenyl-1,3-thiazol-4-yl)purine-2,6-dione Traditional Name: 3-benzyl-7-(3-methoxypropyl)-8-(2-phenylthiazol-4-yl)xanthine Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(N=C1C3=CSC(=N3)C4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

COCCCN1C2=C(N=C1C3=CSC(=N3)C4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O3S/c1-33-14-8-13-29-20-22(30(25(32)28-23(20)31)15-17-9-4-2-5-10-17)27-21(29)19-16-34-24(26-19)18-11-6-3-7-12-18/h2-7,9-12,16H,8,13-15H2,1H3,(H,28,31,32)