8-(azepan-1-yl)-3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-3-methyl-7-[2-(4-methylthiazol-2-yl)sulfanylethyl]purine-2,6-dione CAS Name: 8-(1-azepanyl)-3-methyl-7-[2-[(4-methyl-2-thiazolyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione Traditional Name: 8-(azepan-1-yl)-3-methyl-7-[2-[(4-methylthiazol-2-yl)thio]ethyl]xanthine Formula: C18H24N6O2S2 MolecularWeight: 420.55216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCCN2C3=C(N=C2N4CCCCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CSC(=N1)SCCN2C3=C(N=C2N4CCCCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C18H24N6O2S2/c1-12-11-28-18(19-12)27-10-9-24-13-14(22(2)17(26)21-15(13)25)20-16(24)23-7-5-3-4-6-8-23/h11H,3-10H2,1-2H3,(H,21,25,26)