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

Systemtic Name: 3-butyl-7-(2-methoxyethyl)-8-(2-phenyl-1,3-thiazol-4-yl)purine-2,6-dione Openeye Name: 3-butyl-7-(2-methoxyethyl)-8-(2-phenylthiazol-4-yl)purine-2,6-dione CAS Name: 3-butyl-7-(2-methoxyethyl)-8-(2-phenyl-4-thiazolyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methoxyethyl)-8-(2-phenyl-1,3-thiazol-4-yl)purine-2,6-dione Traditional Name: 3-butyl-7-(2-methoxyethyl)-8-(2-phenylthiazol-4-yl)xanthine Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC(=N3)C4=CC=CC=C4)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC(=N3)C4=CC=CC=C4)CCOC

InChI

InChI=1S/C21H23N5O3S/c1-3-4-10-26-18-16(19(27)24-21(26)28)25(11-12-29-2)17(23-18)15-13-30-20(22-15)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,24,27,28)