3-[2-(1H-indol-3-yl)ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one

Systemtic Name: 3-[2-(1H-indol-3-yl)ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one Openeye Name: 3-[2-(1H-indol-3-yl)ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one CAS Name: 3-[2-(1H-indol-3-yl)ethyl]-2-[(3-methoxyphenyl)methylthio]-4-pteridinone IUPAC Name: 3-[2-(1H-indol-3-yl)ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one Traditional Name: 3-[2-(1H-indol-3-yl)ethyl]-2-(m-anisylthio)pteridin-4-one Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C24H21N5O2S/c1-31-18-6-4-5-16(13-18)15-32-24-28-22-21(25-10-11-26-22)23(30)29(24)12-9-17-14-27-20-8-3-2-7-19(17)20/h2-8,10-11,13-14,27H,9,12,15H2,1H3