2-[[8-azanyl-2-[(3-chloranyl-4-methoxy-phenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol

Systemtic Name: 2-[[8-azanyl-2-[(3-chloranyl-4-methoxy-phenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol Openeye Name: 2-[[8-amino-2-[(3-chloro-4-methoxy-phenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol CAS Name: 2-[[8-amino-2-[(3-chloro-4-methoxyphenyl)methylthio]-7H-purin-6-yl]amino]-1-propanol IUPAC Name: 2-[[8-amino-2-[(3-chloro-4-methoxyphenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol Traditional Name: 2-[[8-amino-2-[(3-chloro-4-methoxy-benzyl)thio]-7H-purin-6-yl]amino]propan-1-ol Formula: C16H19ClN6O2S MolecularWeight: 394.87906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN6O2S/c1-8(6-24)19-13-12-14(21-15(18)20-12)23-16(22-13)26-7-9-3-4-11(25-2)10(17)5-9/h3-5,8,24H,6-7H2,1-2H3,(H4,18,19,20,21,22,23)