6-(3-ethynylphenoxy)-5-nitro-N-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine

Systemtic Name: 6-(3-ethynylphenoxy)-5-nitro-N-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 6-(3-ethynylphenoxy)-5-nitro-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine CAS Name: 6-(3-ethynylphenoxy)-5-nitro-N-[[4-(4-thiadiazolyl)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 6-(3-ethynylphenoxy)-5-nitro-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Traditional Name: [6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]-[4-(thiadiazol-4-yl)benzyl]amine Formula: C21H14N6O3S MolecularWeight: 430.43926

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4

Isomeric SMILES

C#CC1=CC(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4

InChI

InChI=1S/C21H14N6O3S/c1-2-14-4-3-5-17(10-14)30-21-19(27(28)29)20(23-13-24-21)22-11-15-6-8-16(9-7-15)18-12-31-26-25-18/h1,3-10,12-13H,11H2,(H,22,23,24)