6-(4-methylpiperazin-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-5-nitro-N-(4-phenoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3/c1-25-11-13-26(14-12-25)21-19(27(28)29)20(22-15-23-21)24-16-7-9-18(10-8-16)30-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,22,23,24)