2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-2-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidin-4-amine CAS Name: 2-[(3S)-3-methyl-1-piperidinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-2-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H29N7O2/c1-16-6-5-9-27(14-16)21-23-19(22)18(28(29)30)20(24-21)26-12-10-25(11-13-26)15-17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-15H2,1H3,(H2,22,23,24)/t16-/m0/s1