1,3-dimethyl-7-[(2-phenyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2-phenyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(2-phenylthiazol-4-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-phenyl-4-thiazolyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-phenyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(2-phenylthiazol-4-yl)methyl]xanthine Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C17H15N5O2S/c1-20-14-13(16(23)21(2)17(20)24)22(10-18-14)8-12-9-25-15(19-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3