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

Systemtic Name: 2-[[7-azanyl-2-(phenylmethylsulfanyl)pteridin-4-yl]amino]propan-1-ol Openeye Name: 2-[(7-amino-2-benzylsulfanyl-pteridin-4-yl)amino]propan-1-ol CAS Name: 2-[[7-amino-2-(phenylmethylthio)-4-pteridinyl]amino]-1-propanol IUPAC Name: 2-[(7-amino-2-benzylsulfanylpteridin-4-yl)amino]propan-1-ol Traditional Name: 2-[[7-amino-2-(benzylthio)pteridin-4-yl]amino]propan-1-ol Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=NC(=CN=C21)N)SCC3=CC=CC=C3

Isomeric SMILES

CC(CO)NC1=NC(=NC2=NC(=CN=C21)N)SCC3=CC=CC=C3

InChI

InChI=1S/C16H18N6OS/c1-10(8-23)19-14-13-15(20-12(17)7-18-13)22-16(21-14)24-9-11-5-3-2-4-6-11/h2-7,10,23H,8-9H2,1H3,(H3,17,19,20,21,22)