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

Systemtic Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-[(2-methylthiazol-4-yl)methyl]purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-[(2-methyl-4-thiazolyl)methyl]purine-2,6-dione IUPAC Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-[(2-methylthiazol-4-yl)methyl]xanthine Formula: C16H21N7O2S MolecularWeight: 375.44864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2C3=C(N=C2N4CCCNCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=CS1)CN2C3=C(N=C2N4CCCNCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C16H21N7O2S/c1-10-18-11(9-26-10)8-23-12-13(21(2)16(25)20-14(12)24)19-15(23)22-6-3-4-17-5-7-22/h9,17H,3-8H2,1-2H3,(H,20,24,25)