2-[[8-azanyl-2-(1,3-benzodioxol-4-ylmethylsulfanyl)-7H-purin-6-yl]amino]propan-1-ol

Systemtic Name: 2-[[8-azanyl-2-(1,3-benzodioxol-4-ylmethylsulfanyl)-7H-purin-6-yl]amino]propan-1-ol Openeye Name: 2-[[8-amino-2-(1,3-benzodioxol-4-ylmethylsulfanyl)-7H-purin-6-yl]amino]propan-1-ol CAS Name: 2-[[8-amino-2-(1,3-benzodioxol-4-ylmethylthio)-7H-purin-6-yl]amino]-1-propanol IUPAC Name: 2-[[8-amino-2-(1,3-benzodioxol-4-ylmethylsulfanyl)-7H-purin-6-yl]amino]propan-1-ol Traditional Name: 2-[[8-amino-2-(1,3-benzodioxol-4-ylmethylthio)-7H-purin-6-yl]amino]propan-1-ol Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1NC(=N2)N)SCC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1NC(=N2)N)SCC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C16H18N6O3S/c1-8(5-23)18-13-11-14(20-15(17)19-11)22-16(21-13)26-6-9-3-2-4-10-12(9)25-7-24-10/h2-4,8,23H,5-7H2,1H3,(H4,17,18,19,20,21,22)