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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4

InChI

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