5-[5-(chloromethyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[5-(chloromethyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(chloromethyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-(chloromethyl)-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(chloromethyl)-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(chloromethyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C19H23ClN4O2 MolecularWeight: 374.86452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)CCl)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)CCl)OCCC)C

InChI

InChI=1S/C19H23ClN4O2/c1-4-6-14-16-17(24(3)23-14)19(25)22-18(21-16)13-10-12(11-20)7-8-15(13)26-9-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H,21,22,25)