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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

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