3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]pteridin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]pteridin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(o-tolylmethylsulfanyl)pteridin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylthio]-4-pteridinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]pteridin-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-3-piperonyl-pteridin-4-one Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N4O3S/c1-14-4-2-3-5-16(14)12-30-22-25-20-19(23-8-9-24-20)21(27)26(22)11-15-6-7-17-18(10-15)29-13-28-17/h2-10H,11-13H2,1H3