1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-4-prop-2-enyl-1,4-diazepane

Systemtic Name: 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-4-prop-2-enyl-1,4-diazepane Openeye Name: 1-allyl-4-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-4-prop-2-enyl-1,4-diazepane IUPAC Name: 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-4-prop-2-enyl-1,4-diazepane Traditional Name: 1-allyl-4-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-1,4-diazepane Formula: C21H28N8O2 MolecularWeight: 424.49942

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C=CCN1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H28N8O2/c1-2-8-25-9-5-10-27(12-11-25)20-19(29(30)31)21(24-17-23-20)28-15-13-26(14-16-28)18-6-3-4-7-22-18/h2-4,6-7,17H,1,5,8-16H2