2-[[7-azanyl-2-(thiophen-2-ylmethylsulfanyl)pteridin-4-yl]amino]propan-1-ol

Systemtic Name: 2-[[7-azanyl-2-(thiophen-2-ylmethylsulfanyl)pteridin-4-yl]amino]propan-1-ol Openeye Name: 2-[[7-amino-2-(2-thienylmethylsulfanyl)pteridin-4-yl]amino]propan-1-ol CAS Name: 2-[[7-amino-2-(thiophen-2-ylmethylthio)-4-pteridinyl]amino]-1-propanol IUPAC Name: 2-[[7-amino-2-(thiophen-2-ylmethylsulfanyl)pteridin-4-yl]amino]propan-1-ol Traditional Name: 2-[[7-amino-2-(2-thenylthio)pteridin-4-yl]amino]propan-1-ol Formula: C14H16N6OS2 MolecularWeight: 348.44644

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=NC(=CN=C21)N)SCC3=CC=CS3

Isomeric SMILES

CC(CO)NC1=NC(=NC2=NC(=CN=C21)N)SCC3=CC=CS3

InChI

InChI=1S/C14H16N6OS2/c1-8(6-21)17-12-11-13(18-10(15)5-16-11)20-14(19-12)23-7-9-3-2-4-22-9/h2-5,8,21H,6-7H2,1H3,(H3,15,17,18,19,20)