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

Systemtic Name: 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-(4-methylthiazol-2-yl)sulfanyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methyl-2-thiazolyl)thio]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-[(4-methylthiazol-2-yl)thio]-7-(3-phenylpropyl)xanthine Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CSC(=N1)SC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H19N5O2S2/c1-12-11-27-19(20-12)28-18-21-15-14(16(25)22-17(26)23(15)2)24(18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,22,25,26)