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

Systemtic Name: N4-cycloheptyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCCC3)OC

InChI

InChI=1S/C21H29N5O4/c1-29-17-10-9-15(13-18(17)30-2)11-12-22-20-19(26(27)28)21(24-14-23-20)25-16-7-5-3-4-6-8-16/h9-10,13-14,16H,3-8,11-12H2,1-2H3,(H2,22,23,24,25)