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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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