8-(1-azanyl-2-methyl-propan-2-yl)sulfanyl-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-(1-azanyl-2-methyl-propan-2-yl)sulfanyl-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-(2-amino-1,1-dimethyl-ethyl)sulfanyl-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-[(1-amino-2-methylpropan-2-yl)thio]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-(1-amino-2-methylpropan-2-yl)sulfanyl-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-[(2-amino-1,1-dimethyl-ethyl)thio]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1SC(C)(C)CN)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1SC(C)(C)CN)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C23H29N5O3S/c1-15(2)11-12-27-18-19(25-21(27)32-23(3,4)14-24)26(5)22(31)28(20(18)30)13-17(29)16-9-7-6-8-10-16/h6-11H,12-14,24H2,1-5H3