N-cyclopropyl-5-nitro-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-5-nitro-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-cyclopropyl-5-nitro-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine CAS Name: N-cyclopropyl-5-nitro-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-cyclopropyl-5-nitro-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine Traditional Name: cyclopropyl-[5-nitro-2-[4-(2,3,4-trimethoxybenzyl)piperazino]pyrimidin-4-yl]amine Formula: C21H28N6O5 MolecularWeight: 444.48422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H28N6O5/c1-30-17-7-4-14(18(31-2)19(17)32-3)13-25-8-10-26(11-9-25)21-22-12-16(27(28)29)20(24-21)23-15-5-6-15/h4,7,12,15H,5-6,8-11,13H2,1-3H3,(H,22,23,24)