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

Systemtic Name: 6-(4-methoxyphenoxy)-5-nitro-N-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 6-(4-methoxyphenoxy)-5-nitro-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine CAS Name: 6-(4-methoxyphenoxy)-5-nitro-N-[[4-(4-thiadiazolyl)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 6-(4-methoxyphenoxy)-5-nitro-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Traditional Name: [6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-[4-(thiadiazol-4-yl)benzyl]amine Formula: C20H16N6O4S MolecularWeight: 436.44384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4

InChI

InChI=1S/C20H16N6O4S/c1-29-15-6-8-16(9-7-15)30-20-18(26(27)28)19(22-12-23-20)21-10-13-2-4-14(5-3-13)17-11-31-25-24-17/h2-9,11-12H,10H2,1H3,(H,21,22,23)