N4-cycloheptyl-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cycloheptyl-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-(m-anisidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3/c1-26-15-10-6-9-14(11-15)22-18-16(23(24)25)17(19-12-20-18)21-13-7-4-2-3-5-8-13/h6,9-13H,2-5,7-8H2,1H3,(H2,19,20,21,22)