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

Systemtic Name: 5-nitro-6-(2-propan-2-yloxyphenoxy)-N-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 6-(2-isopropoxyphenoxy)-5-nitro-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(2-propan-2-yloxyphenoxy)-N-[[4-(4-thiadiazolyl)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(2-propan-2-yloxyphenoxy)-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Traditional Name: [6-(2-isopropoxyphenoxy)-5-nitro-pyrimidin-4-yl]-[4-(thiadiazol-4-yl)benzyl]amine Formula: C22H20N6O4S MolecularWeight: 464.497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4

Isomeric SMILES

CC(C)OC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4

InChI

InChI=1S/C22H20N6O4S/c1-14(2)31-18-5-3-4-6-19(18)32-22-20(28(29)30)21(24-13-25-22)23-11-15-7-9-16(10-8-15)17-12-33-27-26-17/h3-10,12-14H,11H2,1-2H3,(H,23,24,25)