N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4,N4-diisobutyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4,N4-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]-diisobutyl-amine Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CN(CC(C)C)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H33N5O4/c1-15(2)12-26(13-16(3)4)22-20(27(28)29)21(24-14-25-22)23-10-9-17-7-8-18(30-5)19(11-17)31-6/h7-8,11,14-16H,9-10,12-13H2,1-6H3,(H,23,24,25)