N-(5-methylpyridin-2-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(5-methylpyridin-2-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(5-methyl-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-methyl-2-pyridinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(5-methylpyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(5-methyl-2-pyridyl)amine Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N7O2/c1-16-7-8-18(22-13-16)25-20-19(28(29)30)21(24-15-23-20)27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,22,23,24,25)