1-methyl-5-[(3-nitrophenyl)methyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 1-methyl-5-[(3-nitrophenyl)methyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-methyl-5-[(3-nitrophenyl)methyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-methyl-5-[(3-nitrophenyl)methyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-[(3-nitrophenyl)methyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-methyl-5-(3-nitrobenzyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)CC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N5O3/c1-3-5-12-14-15(20(2)19-12)16(22)18-13(17-14)9-10-6-4-7-11(8-10)21(23)24/h4,6-8H,3,5,9H2,1-2H3,(H,17,18,22)