N6-[2,4-bis(bromanyl)phenyl]-N4-heptan-4-yl-2-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2,4-bis(bromanyl)phenyl]-N4-heptan-4-yl-2-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,4-dibromophenyl)-2-methyl-5-nitro-N4-(1-propylbutyl)pyrimidine-4,6-diamine CAS Name: N6-(2,4-dibromophenyl)-N4-heptan-4-yl-2-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,4-dibromophenyl)-4-N-heptan-4-yl-2-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-dibromoanilino)-2-methyl-5-nitro-pyrimidin-4-yl]-(1-propylbutyl)amine Formula: C18H23Br2N5O2 MolecularWeight: 501.21552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=NC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)Br)C

Isomeric SMILES

CCCC(CCC)NC1=NC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)Br)C

InChI

InChI=1S/C18H23Br2N5O2/c1-4-6-13(7-5-2)23-17-16(25(26)27)18(22-11(3)21-17)24-15-9-8-12(19)10-14(15)20/h8-10,13H,4-7H2,1-3H3,(H2,21,22,23,24)