2-(1,3-benzodioxol-4-ylmethylsulfanyl)-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one

Systemtic Name: 2-(1,3-benzodioxol-4-ylmethylsulfanyl)-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-(1,3-benzodioxol-4-ylmethylsulfanyl)-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one CAS Name: 2-(1,3-benzodioxol-4-ylmethylthio)-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 2-(1,3-benzodioxol-4-ylmethylsulfanyl)-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one Traditional Name: 2-(1,3-benzodioxol-4-ylmethylthio)-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C17H17N5O4S/c1-9(6-23)19-15-13-16(20-12(24)5-18-13)22-17(21-15)27-7-10-3-2-4-11-14(10)26-8-25-11/h2-5,9,23H,6-8H2,1H3,(H2,19,20,21,22,24)