4-(3-methylpiperidin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-(3-methylpiperidin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-(3-methyl-1-piperidinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(3-methylpiperidino)-5-nitro-pyrimidine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

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