N-(3-imidazol-1-ylpropyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H26N8O3 MolecularWeight: 438.48294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N8O3/c1-32-18-5-3-17(4-6-18)27-11-13-28(14-12-27)21-19(29(30)31)20(24-15-25-21)23-7-2-9-26-10-8-22-16-26/h3-6,8,10,15-16H,2,7,9,11-14H2,1H3,(H,23,24,25)