N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-tert-butyl-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: tert-butyl-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H28N6O2/c1-14-7-6-8-16(15(14)2)24-9-11-25(12-10-24)19-17(26(27)28)18(21-13-22-19)23-20(3,4)5/h6-8,13H,9-12H2,1-5H3,(H,21,22,23)