4-[1,3-bis(oxidanyl)propan-2-ylamino]-2-(thiophen-2-ylmethylsulfanyl)-8H-pteridin-7-one

Systemtic Name: 4-[1,3-bis(oxidanyl)propan-2-ylamino]-2-(thiophen-2-ylmethylsulfanyl)-8H-pteridin-7-one Openeye Name: 4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-2-(2-thienylmethylsulfanyl)-8H-pteridin-7-one CAS Name: 4-(1,3-dihydroxypropan-2-ylamino)-2-(thiophen-2-ylmethylthio)-8H-pteridin-7-one IUPAC Name: 4-(1,3-dihydroxypropan-2-ylamino)-2-(thiophen-2-ylmethylsulfanyl)-8H-pteridin-7-one Traditional Name: 4-[(2-hydroxy-1-methylol-ethyl)amino]-2-(2-thenylthio)-8H-pteridin-7-one Formula: C14H15N5O3S2 MolecularWeight: 365.4306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O3S2/c20-5-8(6-21)16-12-11-13(17-10(22)4-15-11)19-14(18-12)24-7-9-2-1-3-23-9/h1-4,8,20-21H,5-7H2,(H2,16,17,18,19,22)