2-cyclopentyl-6-[(4-methoxyphenyl)methyl]-1-oxidanidyl-4-propyl-pyrazolo[4,3-d]pyrimidin-1-ium-5,7-dione

Systemtic Name: 2-cyclopentyl-6-[(4-methoxyphenyl)methyl]-1-oxidanidyl-4-propyl-pyrazolo[4,3-d]pyrimidin-1-ium-5,7-dione Openeye Name: 2-cyclopentyl-6-[(4-methoxyphenyl)methyl]-1-oxido-4-propyl-pyrazolo[4,3-d]pyrimidin-1-ium-5,7-dione CAS Name: 2-cyclopentyl-6-[(4-methoxyphenyl)methyl]-1-oxido-4-propylpyrazolo[4,3-d]pyrimidin-1-ium-5,7-dione IUPAC Name: 2-cyclopentyl-6-[(4-methoxyphenyl)methyl]-1-oxido-4-propylpyrazolo[4,3-d]pyrimidin-1-ium-5,7-dione Traditional Name: 2-cyclopentyl-1-oxido-6-p-anisyl-4-propyl-pyrazolo[4,3-d]pyrimidin-1-ium-5,7-quinone Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CN([N+](=C2C(=O)N(C1=O)CC3=CC=C(C=C3)OC)[O-])C4CCCC4

Isomeric SMILES

CCCN1C2=CN([N+](=C2C(=O)N(C1=O)CC3=CC=C(C=C3)OC)[O-])C4CCCC4

InChI

InChI=1S/C21H26N4O4/c1-3-12-22-18-14-24(16-6-4-5-7-16)25(28)19(18)20(26)23(21(22)27)13-15-8-10-17(29-2)11-9-15/h8-11,14,16H,3-7,12-13H2,1-2H3