2-azanyl-5-(3,3-diethoxypropyl)-6-(4-nitrophenyl)-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-5-(3,3-diethoxypropyl)-6-(4-nitrophenyl)-1H-pyrimidin-4-one Openeye Name: 2-amino-5-(3,3-diethoxypropyl)-6-(4-nitrophenyl)-1H-pyrimidin-4-one CAS Name: 2-amino-5-(3,3-diethoxypropyl)-6-(4-nitrophenyl)-1H-pyrimidin-4-one IUPAC Name: 2-amino-5-(3,3-diethoxypropyl)-6-(4-nitrophenyl)-1H-pyrimidin-4-one Traditional Name: 2-amino-5-(3,3-diethoxypropyl)-6-(4-nitrophenyl)-1H-pyrimidin-4-one Formula: C17H22N4O5 MolecularWeight: 362.38038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCC1=C(NC(=NC1=O)N)C2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CCC1=C(NC(=NC1=O)N)C2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C17H22N4O5/c1-3-25-14(26-4-2)10-9-13-15(19-17(18)20-16(13)22)11-5-7-12(8-6-11)21(23)24/h5-8,14H,3-4,9-10H2,1-2H3,(H3,18,19,20,22)