N-cyclopentyl-5-nitro-N-prop-2-enyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-cyclopentyl-5-nitro-N-prop-2-enyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-allyl-N-cyclopentyl-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-cyclopentyl-5-nitro-N-prop-2-enyl-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-cyclopentyl-5-nitro-N-prop-2-enyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: allyl-cyclopentyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCCC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C=CCN(C1CCCC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H27N7O2/c1-2-11-27(17-7-3-4-8-17)21-19(28(29)30)20(23-16-24-21)26-14-12-25(13-15-26)18-9-5-6-10-22-18/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2