4-(3-ethynylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(3-ethynylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(3-ethynylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(3-ethynylphenoxy)-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-(3-ethynylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(3-ethynylphenoxy)-6-(4-methylpiperazino)-5-nitro-pyrimidine Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC(=C3)C#C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC(=C3)C#C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c1-3-13-5-4-6-14(11-13)25-17-15(22(23)24)16(18-12-19-17)21-9-7-20(2)8-10-21/h1,4-6,11-12H,7-10H2,2H3