6-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-[(3S)-3-methyl-4-(m-tolyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C(=NC=N3)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)C3=C(C(=NC=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O2/c1-11-4-3-5-13(8-11)21-7-6-20(9-12(21)2)16-14(22(23)24)15(17)18-10-19-16/h3-5,8,10,12H,6-7,9H2,1-2H3,(H2,17,18,19)/t12-/m0/s1