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

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-isopentyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-(3-methylbutyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O2/c1-15(2)8-9-22-20-19(27(28)29)21(24-14-23-20)26-12-10-25(11-13-26)18-7-5-6-16(3)17(18)4/h5-7,14-15H,8-13H2,1-4H3,(H,22,23,24)