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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]-2-(m-tolylmethylsulfanyl)-8H-pteridin-7-one CAS Name: 4-(1-hydroxypropan-2-ylamino)-2-[(3-methylphenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 4-(1-hydroxypropan-2-ylamino)-2-[(3-methylphenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]-2-[(3-methylbenzyl)thio]-8H-pteridin-7-one Formula: C17H19N5O2S MolecularWeight: 357.43006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C(=N2)NC(C)CO)N=CC(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C(=N2)NC(C)CO)N=CC(=O)N3

InChI

InChI=1S/C17H19N5O2S/c1-10-4-3-5-12(6-10)9-25-17-21-15(19-11(2)8-23)14-16(22-17)20-13(24)7-18-14/h3-7,11,23H,8-9H2,1-2H3,(H2,19,20,21,22,24)