4-methyl-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-methyl-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-methyl-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 4-methyl-5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-methyl-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 2-(4-benzylpiperazino)-4-methyl-5-nitro-6-piperidino-pyrimidine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCN(CC2)CC3=CC=CC=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCN(CC2)CC3=CC=CC=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O2/c1-17-19(27(28)29)20(25-10-6-3-7-11-25)23-21(22-17)26-14-12-24(13-15-26)16-18-8-4-2-5-9-18/h2,4-5,8-9H,3,6-7,10-16H2,1H3