2-[(6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[(6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[(6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzamide CAS Name: 2-[(6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[(6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzamide Traditional Name: N-benzyl-2-[(6-keto-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzamide Formula: C25H20N5O2+ MolecularWeight: 422.4586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC3=NC4=[N+](C=C3)C(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC3=NC4=[N+](C=C3)C(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H19N5O2/c31-23(26-16-17-8-2-1-3-9-17)18-10-4-6-12-20(18)27-22-14-15-30-24(32)19-11-5-7-13-21(19)28-25(30)29-22/h1-15H,16H2,(H2,26,27,28,29,31,32)/p+1