1-azanyl-8-nitro-5-(phenylmethyl)pyrimido[4,5-c]isoquinolin-6-one

Systemtic Name: 1-azanyl-8-nitro-5-(phenylmethyl)pyrimido[4,5-c]isoquinolin-6-one Openeye Name: 1-amino-5-benzyl-8-nitro-pyrimido[4,5-c]isoquinolin-6-one CAS Name: 1-amino-8-nitro-5-(phenylmethyl)-6-pyrimido[4,5-c]isoquinolinone IUPAC Name: 1-amino-5-benzyl-8-nitropyrimido[4,5-c]isoquinolin-6-one Traditional Name: 1-amino-5-benzyl-8-nitro-pyrimid[4,5-c]isoquinolin-6-one Formula: C18H13N5O3 MolecularWeight: 347.32752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=NC=N3)N

InChI

InChI=1S/C18H13N5O3/c19-16-15-13-7-6-12(23(25)26)8-14(13)18(24)22(17(15)21-10-20-16)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H2,19,20,21)