N2-(4-chlorophenyl)-5-nitro-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-5-nitro-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-5-nitro-N4-[3-(1-pyrrolidinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-5-nitro-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(3-pyrrolidinopropyl)amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN6O2/c18-13-4-6-14(7-5-13)21-17-20-12-15(24(25)26)16(22-17)19-8-3-11-23-9-1-2-10-23/h4-7,12H,1-3,8-11H2,(H2,19,20,21,22)