2-[(5-methylfuran-2-yl)methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one

Systemtic Name: 2-[(5-methylfuran-2-yl)methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]-2-[(5-methyl-2-furyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 4-(1-hydroxypropan-2-ylamino)-2-[(5-methyl-2-furanyl)methylthio]-8H-pteridin-7-one IUPAC Name: 4-(1-hydroxypropan-2-ylamino)-2-[(5-methylfuran-2-yl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]-2-[(5-methyl-2-furyl)methylthio]-8H-pteridin-7-one Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CSC2=NC3=C(C(=N2)NC(C)CO)N=CC(=O)N3

Isomeric SMILES

CC1=CC=C(O1)CSC2=NC3=C(C(=N2)NC(C)CO)N=CC(=O)N3

InChI

InChI=1S/C15H17N5O3S/c1-8(6-21)17-13-12-14(18-11(22)5-16-12)20-15(19-13)24-7-10-4-3-9(2)23-10/h3-5,8,21H,6-7H2,1-2H3,(H2,17,18,19,20,22)