1-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-4-prop-2-enyl-1,4-diazepane

Systemtic Name: 1-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-4-prop-2-enyl-1,4-diazepane Openeye Name: 1-allyl-4-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-4-prop-2-enyl-1,4-diazepane IUPAC Name: 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-4-prop-2-enyl-1,4-diazepane Traditional Name: 1-allyl-4-(5-nitro-6-piperidino-pyrimidin-4-yl)-1,4-diazepane Formula: C17H26N6O2 MolecularWeight: 346.42734

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

C=CCN1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H26N6O2/c1-2-7-20-8-6-11-22(13-12-20)17-15(23(24)25)16(18-14-19-17)21-9-4-3-5-10-21/h2,14H,1,3-13H2