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

Systemtic Name: 6-(2-methoxy-6-prop-2-enyl-phenoxy)-5-nitro-N-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 6-(2-allyl-6-methoxy-phenoxy)-5-nitro-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine CAS Name: 6-(2-methoxy-6-prop-2-enylphenoxy)-5-nitro-N-[[4-(4-thiadiazolyl)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 6-(2-methoxy-6-prop-2-enylphenoxy)-5-nitro-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine Traditional Name: [6-(2-allyl-6-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]-[4-(thiadiazol-4-yl)benzyl]amine Formula: C23H20N6O4S MolecularWeight: 476.5077

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4)CC=C

Isomeric SMILES

COC1=CC=CC(=C1OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C4=CSN=N4)CC=C

InChI

InChI=1S/C23H20N6O4S/c1-3-5-17-6-4-7-19(32-2)21(17)33-23-20(29(30)31)22(25-14-26-23)24-12-15-8-10-16(11-9-15)18-13-34-28-27-18/h3-4,6-11,13-14H,1,5,12H2,2H3,(H,24,25,26)