4-azanyl-2-(azepan-1-yl)-5-oxidanidyl-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one

Systemtic Name: 4-azanyl-2-(azepan-1-yl)-5-oxidanidyl-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Openeye Name: 4-amino-2-(azepan-1-yl)-5-oxido-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one CAS Name: 4-amino-2-(1-azepanyl)-5-oxido-6-phenyl-7-pyrrolo[3,2-d]pyrimidin-5-iumone IUPAC Name: 4-amino-2-(azepan-1-yl)-5-oxido-6-phenylpyrrolo[3,2-d]pyrimidin-5-ium-7-one Traditional Name: 4-amino-2-(azepan-1-yl)-5-oxido-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=C(C(=N2)N)[N+](=C(C3=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NC3=C(C(=N2)N)[N+](=C(C3=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C18H19N5O2/c19-17-15-13(20-18(21-17)22-10-6-1-2-7-11-22)16(24)14(23(15)25)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H2,19,20,21)