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

Systemtic Name: 6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 2-(4-benzyl-1-piperidyl)-6-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(3S)-3-methyl-1-piperidinyl]-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 2-(4-benzylpiperidin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [2-(4-benzylpiperidino)-6-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC(=N2)N3CCC(CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C(=NC(=N2)N3CCC(CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O2/c1-16-6-5-11-27(15-16)21-19(28(29)30)20(23)24-22(25-21)26-12-9-18(10-13-26)14-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H2,23,24,25)/t16-/m0/s1