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

Systemtic Name: 3-nitro-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)ethylamino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 3-nitro-2-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)ethylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[2-(4-benzylpiperazino)ethylamino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O3/c28-21-19(27(29)30)20(23-18-8-4-5-10-26(18)21)22-9-11-24-12-14-25(15-13-24)16-17-6-2-1-3-7-17/h1-8,10,22H,9,11-16H2