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

Systemtic Name: 2-[(4-hydroxyphenyl)methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]-2-[(4-hydroxyphenyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 2-[(4-hydroxyphenyl)methylthio]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 2-[(4-hydroxyphenyl)methylsulfanyl]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one Traditional Name: 2-[(4-hydroxybenzyl)thio]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3S/c1-9(7-22)18-14-13-15(19-12(24)6-17-13)21-16(20-14)25-8-10-2-4-11(23)5-3-10/h2-6,9,22-23H,7-8H2,1H3,(H2,18,19,20,21,24)