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

Systemtic Name: 5-nitro-6-(2-prop-2-enylphenoxy)-N-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 6-(2-allylphenoxy)-5-nitro-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(2-prop-2-enylphenoxy)-N-[[4-(4-thiadiazolyl)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(2-prop-2-enylphenoxy)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Traditional Name: [6-(2-allylphenoxy)-5-nitro-pyrimidin-4-yl]-[4-(thiadiazol-4-yl)benzyl]amine Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4

Isomeric SMILES

C=CCC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4

InChI

InChI=1S/C22H18N6O3S/c1-2-5-17-6-3-4-7-19(17)31-22-20(28(29)30)21(24-14-25-22)23-12-15-8-10-16(11-9-15)18-13-32-27-26-18/h2-4,6-11,13-14H,1,5,12H2,(H,23,24,25)