N4-tert-butyl-N4-methyl-5-nitro-N6-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]pyrimidine-4,6-diamine

Systemtic Name: N4-tert-butyl-N4-methyl-5-nitro-N6-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N4-methyl-5-nitro-N6-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N4-methyl-5-nitro-N6-[[4-(4-thiadiazolyl)phenyl]methyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-4-N-methyl-5-nitro-6-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidine-4,6-diamine Traditional Name: tert-butyl-methyl-[5-nitro-6-[[4-(thiadiazol-4-yl)benzyl]amino]pyrimidin-4-yl]amine Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)C3=CSN=N3

Isomeric SMILES

CC(C)(C)N(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)C3=CSN=N3

InChI

InChI=1S/C18H21N7O2S/c1-18(2,3)24(4)17-15(25(26)27)16(20-11-21-17)19-9-12-5-7-13(8-6-12)14-10-28-23-22-14/h5-8,10-11H,9H2,1-4H3,(H,19,20,21)