8-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-9-(4-methylphenyl)-3H-purin-6-one

Systemtic Name: 8-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-9-(4-methylphenyl)-3H-purin-6-one Openeye Name: 8-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]sulfanyl-9-(p-tolyl)-3H-purin-6-one CAS Name: 8-[[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]thio]-9-(4-methylphenyl)-3H-purin-6-one IUPAC Name: 8-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl-9-(4-methylphenyl)-3H-purin-6-one Traditional Name: 8-[[2-keto-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]thio]-9-(p-tolyl)-3H-purin-6-one Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)N4CCOC5=C4C=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)N4CCOC5=C4C=C(C=C5)C

InChI

InChI=1S/C23H21N5O3S/c1-14-3-6-16(7-4-14)28-21-20(22(30)25-13-24-21)26-23(28)32-12-19(29)27-9-10-31-18-8-5-15(2)11-17(18)27/h3-8,11,13H,9-10,12H2,1-2H3,(H,24,25,30)