2-[[8-azanyl-2-[(3-methoxyphenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol

Systemtic Name: 2-[[8-azanyl-2-[(3-methoxyphenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol Openeye Name: 2-[[8-amino-2-[(3-methoxyphenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol CAS Name: 2-[[8-amino-2-[(3-methoxyphenyl)methylthio]-7H-purin-6-yl]amino]-1-propanol IUPAC Name: 2-[[8-amino-2-[(3-methoxyphenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol Traditional Name: 2-[[8-amino-2-(m-anisylthio)-7H-purin-6-yl]amino]propan-1-ol Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O2S/c1-9(7-23)18-13-12-14(20-15(17)19-12)22-16(21-13)25-8-10-4-3-5-11(6-10)24-2/h3-6,9,23H,7-8H2,1-2H3,(H4,17,18,19,20,21,22)