1,3-dimethyl-7-[2-oxidanylidene-2-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]ethyl]purine-2,6-dione Openeye Name: 7-[2-[2-(2-isopropylphenyl)imino-1,3-thiazinan-3-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(2-o-cumenylimino-1,3-thiazinan-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N=C2N(CCCS2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(C)C1=CC=CC=C1N=C2N(CCCS2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H26N6O3S/c1-14(2)15-8-5-6-9-16(15)24-21-28(10-7-11-32-21)17(29)12-27-13-23-19-18(27)20(30)26(4)22(31)25(19)3/h5-6,8-9,13-14H,7,10-12H2,1-4H3