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

Systemtic Name: 3-(3-methylbutyl)-2-[(4-methylphenyl)methylsulfanyl]pteridin-4-one Openeye Name: 3-isopentyl-2-(p-tolylmethylsulfanyl)pteridin-4-one CAS Name: 3-(3-methylbutyl)-2-[(4-methylphenyl)methylthio]-4-pteridinone IUPAC Name: 3-(3-methylbutyl)-2-[(4-methylphenyl)methylsulfanyl]pteridin-4-one Traditional Name: 3-isoamyl-2-[(4-methylbenzyl)thio]pteridin-4-one Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=NC=CN=C3C(=O)N2CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=NC=CN=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C19H22N4OS/c1-13(2)8-11-23-18(24)16-17(21-10-9-20-16)22-19(23)25-12-15-6-4-14(3)5-7-15/h4-7,9-10,13H,8,11-12H2,1-3H3