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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)methylsulfanyl]pteridin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)methylsulfanyl]pteridin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)methylthio]-4-pteridinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)methylsulfanyl]pteridin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-piperonyl-pteridin-4-one Formula: C21H15ClN4O3S MolecularWeight: 438.8868

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=NC=CN=C4N=C3SCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=NC=CN=C4N=C3SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H15ClN4O3S/c22-15-3-1-2-14(8-15)11-30-21-25-19-18(23-6-7-24-19)20(27)26(21)10-13-4-5-16-17(9-13)29-12-28-16/h1-9H,10-12H2