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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-3-phenethyl-pteridin-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-3-phenethyl-pteridin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-3-phenethyl-4-pteridinone IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-3-phenethylpteridin-4-one Traditional Name: 2-(m-anisylthio)-3-phenethyl-pteridin-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-28-18-9-5-8-17(14-18)15-29-22-25-20-19(23-11-12-24-20)21(27)26(22)13-10-16-6-3-2-4-7-16/h2-9,11-12,14H,10,13,15H2,1H3