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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-homoveratryl-amine Formula: C20H21N5O4 MolecularWeight: 395.41184

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-28-16-9-8-14(12-17(16)29-2)10-11-21-19-18(25(26)27)20(23-13-22-19)24-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,21,22,23,24)