1,1-dimethyl-5-[5-(2-morpholin-4-ylethoxymethyl)-2-propoxy-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-ium-7-one

Systemtic Name: 1,1-dimethyl-5-[5-(2-morpholin-4-ylethoxymethyl)-2-propoxy-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-ium-7-one Openeye Name: 1,1-dimethyl-5-[5-(2-morpholinoethoxymethyl)-2-propoxy-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-ium-7-one CAS Name: 1,1-dimethyl-5-[5-[2-(4-morpholinyl)ethoxymethyl]-2-propoxyphenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-ium-7-one IUPAC Name: 1,1-dimethyl-5-[5-(2-morpholin-4-ylethoxymethyl)-2-propoxyphenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-ium-7-one Traditional Name: 1,1-dimethyl-5-[5-(2-morpholinoethoxymethyl)-2-propoxy-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-ium-7-one Formula: C26H38N5O4+ MolecularWeight: 484.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=N[N+](C2=C1NC(=NC2=O)C3=C(C=CC(=C3)COCCN4CCOCC4)OCCC)(C)C

Isomeric SMILES

CCCC1=N[N+](C2=C1NC(=NC2=O)C3=C(C=CC(=C3)COCCN4CCOCC4)OCCC)(C)C

InChI

InChI=1S/C26H37N5O4/c1-5-7-21-23-24(31(3,4)29-21)26(32)28-25(27-23)20-17-19(8-9-22(20)35-13-6-2)18-34-16-12-30-10-14-33-15-11-30/h8-9,17H,5-7,10-16,18H2,1-4H3/p+1