5-methyl-N4-(3-nitrophenyl)-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-methyl-N4-(3-nitrophenyl)-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Openeye Name: 5-methyl-N4-(3-nitrophenyl)-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine CAS Name: 5-methyl-N4-(3-nitrophenyl)-N2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-methyl-4-N-(3-nitrophenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Traditional Name: [5-methyl-4-(3-nitroanilino)pyrimidin-2-yl]-[4-(2-pyrrolidinoethoxy)phenyl]amine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC(=CC=C2)[N+](=O)[O-])NC3=CC=C(C=C3)OCCN4CCCC4

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=CC=C2)[N+](=O)[O-])NC3=CC=C(C=C3)OCCN4CCCC4

InChI

InChI=1S/C23H26N6O3/c1-17-16-24-23(27-22(17)25-19-5-4-6-20(15-19)29(30)31)26-18-7-9-21(10-8-18)32-14-13-28-11-2-3-12-28/h4-10,15-16H,2-3,11-14H2,1H3,(H2,24,25,26,27)