1-azanyl-8-nitro-5-phenyl-pyrimido[4,5-c]isoquinolin-6-one

Systemtic Name: 1-azanyl-8-nitro-5-phenyl-pyrimido[4,5-c]isoquinolin-6-one Openeye Name: 1-amino-8-nitro-5-phenyl-pyrimido[4,5-c]isoquinolin-6-one CAS Name: 1-amino-8-nitro-5-phenyl-6-pyrimido[4,5-c]isoquinolinone IUPAC Name: 1-amino-8-nitro-5-phenylpyrimido[4,5-c]isoquinolin-6-one Traditional Name: 1-amino-8-nitro-5-phenyl-pyrimid[4,5-c]isoquinolin-6-one Formula: C17H11N5O3 MolecularWeight: 333.30094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=NC=N3)N

InChI

InChI=1S/C17H11N5O3/c18-15-14-12-7-6-11(22(24)25)8-13(12)17(23)21(16(14)20-9-19-15)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20)