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

Systemtic Name: 3-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[(2-methylthiazol-4-yl)methyl]-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-[(2-methyl-4-thiazolyl)methyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[(2-methylthiazol-4-yl)methyl]-8-piperazino-xanthine Formula: C15H19N7O2S MolecularWeight: 361.42206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=CS1)CN2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C15H19N7O2S/c1-9-17-10(8-25-9)7-22-11-12(20(2)15(24)19-13(11)23)18-14(22)21-5-3-16-4-6-21/h8,16H,3-7H2,1-2H3,(H,19,23,24)