3-butyl-7-methyl-8-[(5-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-[(5-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-[(5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-[(5-methyl-4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]purine-2,6-dione Traditional Name: 3-butyl-8-[(4-keto-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]-7-methyl-xanthine Formula: C24H24N6O3S MolecularWeight: 476.55076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C=NC4=C(C3=O)C(=C(S4)C5=CC=CC=C5)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C=NC4=C(C3=O)C(=C(S4)C5=CC=CC=C5)C)C

InChI

InChI=1S/C24H24N6O3S/c1-4-5-11-30-20-18(21(31)27-24(30)33)28(3)16(26-20)12-29-13-25-22-17(23(29)32)14(2)19(34-22)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,27,31,33)