6-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazinyl)-N-(3-methoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3/c1-3-21-7-9-22(10-8-21)17-15(23(24)25)16(18-12-19-17)20-13-5-4-6-14(11-13)26-2/h4-6,11-12H,3,7-10H2,1-2H3,(H,18,19,20)