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

Systemtic Name: N-(1-methoxypropan-2-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-methoxypropan-2-yl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-methoxy-1-methyl-ethyl)amine Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N6O3/c1-15(13-28-2)22-18-17(25(26)27)19(21-14-20-18)24-10-8-23(9-11-24)12-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,20,21,22)