9-(methoxymethyl)-1,3-bis(2-methylphenyl)-2-sulfanylidene-purin-6-one

Systemtic Name: 9-(methoxymethyl)-1,3-bis(2-methylphenyl)-2-sulfanylidene-purin-6-one Openeye Name: 9-(methoxymethyl)-1,3-bis(o-tolyl)-2-thioxo-purin-6-one CAS Name: 9-(methoxymethyl)-1,3-bis(2-methylphenyl)-2-sulfanylidene-6-purinone IUPAC Name: 9-(methoxymethyl)-1,3-bis(2-methylphenyl)-2-sulfanylidenepurin-6-one Traditional Name: 9-(methoxymethyl)-1,3-bis(o-tolyl)-2-thioxo-purin-6-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3COC

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3COC

InChI

InChI=1S/C21H20N4O2S/c1-14-8-4-6-10-16(14)24-19-18(22-12-23(19)13-27-3)20(26)25(21(24)28)17-11-7-5-9-15(17)2/h4-12H,13H2,1-3H3