4-(1-oxidanylpropan-2-ylamino)-2-(thiophen-2-ylmethylsulfanyl)-8H-pteridin-7-one

Systemtic Name: 4-(1-oxidanylpropan-2-ylamino)-2-(thiophen-2-ylmethylsulfanyl)-8H-pteridin-7-one Openeye Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]-2-(2-thienylmethylsulfanyl)-8H-pteridin-7-one CAS Name: 4-(1-hydroxypropan-2-ylamino)-2-(thiophen-2-ylmethylthio)-8H-pteridin-7-one IUPAC Name: 4-(1-hydroxypropan-2-ylamino)-2-(thiophen-2-ylmethylsulfanyl)-8H-pteridin-7-one Traditional Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]-2-(2-thenylthio)-8H-pteridin-7-one Formula: C14H15N5O2S2 MolecularWeight: 349.4312

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=CC=CS3

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=CC=CS3

InChI

InChI=1S/C14H15N5O2S2/c1-8(6-20)16-12-11-13(17-10(21)5-15-11)19-14(18-12)23-7-9-3-2-4-22-9/h2-5,8,20H,6-7H2,1H3,(H2,16,17,18,19,21)