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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2C3=C(N=C2N4CCCCCN4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NC(=CS1)CN2C3=C(N=C2N4CCCCCN4)N(C(=O)NC3=O)C

InChI

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