4-azanyl-6-ethyl-5-(3-nitro-4-piperidin-1-yl-phenyl)-1H-pyrimidin-2-one

Systemtic Name: 4-azanyl-6-ethyl-5-(3-nitro-4-piperidin-1-yl-phenyl)-1H-pyrimidin-2-one Openeye Name: 4-amino-6-ethyl-5-[3-nitro-4-(1-piperidyl)phenyl]-1H-pyrimidin-2-one CAS Name: 4-amino-6-ethyl-5-[3-nitro-4-(1-piperidinyl)phenyl]-1H-pyrimidin-2-one IUPAC Name: 4-amino-6-ethyl-5-(3-nitro-4-piperidin-1-ylphenyl)-1H-pyrimidin-2-one Traditional Name: 4-amino-6-ethyl-5-(3-nitro-4-piperidino-phenyl)-1H-pyrimidin-2-one Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=O)N1)N)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=O)N1)N)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c1-2-12-15(16(18)20-17(23)19-12)11-6-7-13(14(10-11)22(24)25)21-8-4-3-5-9-21/h6-7,10H,2-5,8-9H2,1H3,(H3,18,19,20,23)