2-[[6-azanyl-2-[(3-chlorophenyl)methylsulfanyl]-5-nitroso-pyrimidin-4-yl]amino]propan-1-ol

Systemtic Name: 2-[[6-azanyl-2-[(3-chlorophenyl)methylsulfanyl]-5-nitroso-pyrimidin-4-yl]amino]propan-1-ol Openeye Name: 2-[[6-amino-2-[(3-chlorophenyl)methylsulfanyl]-5-nitroso-pyrimidin-4-yl]amino]propan-1-ol CAS Name: 2-[[6-amino-2-[(3-chlorophenyl)methylthio]-5-nitroso-4-pyrimidinyl]amino]-1-propanol IUPAC Name: 2-[[6-amino-2-[(3-chlorophenyl)methylsulfanyl]-5-nitrosopyrimidin-4-yl]amino]propan-1-ol Traditional Name: 2-[[6-amino-2-[(3-chlorobenzyl)thio]-5-nitroso-pyrimidin-4-yl]amino]propan-1-ol Formula: C14H16ClN5O2S MolecularWeight: 353.82714

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC(=C1N=O)N)SCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(CO)NC1=NC(=NC(=C1N=O)N)SCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H16ClN5O2S/c1-8(6-21)17-13-11(20-22)12(16)18-14(19-13)23-7-9-3-2-4-10(15)5-9/h2-5,8,21H,6-7H2,1H3,(H3,16,17,18,19)