2-[[7-azanyl-2-[(3-chloranyl-4-methoxy-phenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol

Systemtic Name: 2-[[7-azanyl-2-[(3-chloranyl-4-methoxy-phenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol Openeye Name: 2-[[7-amino-2-[(3-chloro-4-methoxy-phenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol CAS Name: 2-[[7-amino-2-[(3-chloro-4-methoxyphenyl)methylthio]-4-pteridinyl]amino]-1-propanol IUPAC Name: 2-[[7-amino-2-[(3-chloro-4-methoxyphenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol Traditional Name: 2-[[7-amino-2-[(3-chloro-4-methoxy-benzyl)thio]pteridin-4-yl]amino]propan-1-ol Formula: C17H19ClN6O2S MolecularWeight: 406.88976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN6O2S/c1-9(7-25)21-15-14-16(22-13(19)6-20-14)24-17(23-15)27-8-10-3-4-12(26-2)11(18)5-10/h3-6,9,25H,7-8H2,1-2H3,(H3,19,21,22,23,24)