2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-3-nitro-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Formula: C21H20N8O3 MolecularWeight: 432.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C4=C(C(=O)N5C=CC=CC5=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C4=C(C(=O)N5C=CC=CC5=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N8O3/c22-19-14-5-1-2-6-15(14)23-16(24-19)13-26-9-11-27(12-10-26)20-18(29(31)32)21(30)28-8-4-3-7-17(28)25-20/h1-8H,9-13H2,(H2,22,23,24)