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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3)OC

InChI

InChI=1S/C20H22N6O4/c1-29-16-6-5-14(10-17(16)30-2)7-9-22-19-18(26(27)28)20(25-13-24-19)23-12-15-4-3-8-21-11-15/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H2,22,23,24,25)