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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-3-(phenylmethyl)pteridin-4-one Openeye Name: 3-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-3-(phenylmethyl)-4-pteridinone IUPAC Name: 3-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one Traditional Name: 3-benzyl-2-(m-anisylthio)pteridin-4-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-27-17-9-5-8-16(12-17)14-28-21-24-19-18(22-10-11-23-19)20(26)25(21)13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3