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

Systemtic Name: 1-tert-butyl-2-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]diazane Openeye Name: 1-tert-butyl-2-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]hydrazine CAS Name: 1-tert-butyl-2-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]hydrazine IUPAC Name: 1-tert-butyl-2-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine Traditional Name: 1-tert-butyl-2-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]hydrazine Formula: C20H29N7O2 MolecularWeight: 399.48996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N7O2/c1-14-7-6-8-16(15(14)2)25-9-11-26(12-10-25)19-17(27(28)29)18(21-13-22-19)23-24-20(3,4)5/h6-8,13,24H,9-12H2,1-5H3,(H,21,22,23)