2-[(3-chlorophenyl)methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one CAS Name: 2-[(3-chlorophenyl)methylthio]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one Traditional Name: 2-[(3-chlorobenzyl)thio]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H16ClN5O2S/c1-9(7-23)19-14-13-15(20-12(24)6-18-13)22-16(21-14)25-8-10-3-2-4-11(17)5-10/h2-6,9,23H,7-8H2,1H3,(H2,19,20,21,22,24)