2-[(3-methoxyphenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]pteridin-4-one

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]pteridin-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-3-(p-tolylmethyl)pteridin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-3-[(4-methylphenyl)methyl]-4-pteridinone IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]pteridin-4-one Traditional Name: 2-(m-anisylthio)-3-(4-methylbenzyl)pteridin-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=CC=C4)OC

InChI

InChI=1S/C22H20N4O2S/c1-15-6-8-16(9-7-15)13-26-21(27)19-20(24-11-10-23-19)25-22(26)29-14-17-4-3-5-18(12-17)28-2/h3-12H,13-14H2,1-2H3