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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[6-(m-anisidino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C21H23N5O5/c1-29-16-6-4-5-15(12-16)25-21-19(26(27)28)20(23-13-24-21)22-10-9-14-7-8-17(30-2)18(11-14)31-3/h4-8,11-13H,9-10H2,1-3H3,(H2,22,23,24,25)