N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: homoveratryl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C24H28N6O4 MolecularWeight: 464.51692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H28N6O4/c1-33-20-9-8-18(16-21(20)34-2)10-11-25-23-22(30(31)32)24(27-17-26-23)29-14-12-28(13-15-29)19-6-4-3-5-7-19/h3-9,16-17H,10-15H2,1-2H3,(H,25,26,27)