N6-hexadecyl-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: cetyl-(6-cumidino-5-nitro-pyrimidin-4-yl)amine Formula: C29H47N5O2 MolecularWeight: 497.71578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C29H47N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-28-27(34(35)36)29(32-23-31-28)33-26-20-18-25(19-21-26)24(2)3/h18-21,23-24H,4-17,22H2,1-3H3,(H2,30,31,32,33)