N2-[5-(3-azanylpyrrolidin-1-yl)-6-chloranyl-pyridin-2-yl]-N4-cyclopentyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[5-(3-azanylpyrrolidin-1-yl)-6-chloranyl-pyridin-2-yl]-N4-cyclopentyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[5-(3-aminopyrrolidin-1-yl)-6-chloro-2-pyridyl]-N4-cyclopentyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[5-(3-amino-1-pyrrolidinyl)-6-chloro-2-pyridinyl]-N4-cyclopentyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[5-(3-aminopyrrolidin-1-yl)-6-chloropyridin-2-yl]-4-N-cyclopentyl-5-nitropyrimidine-2,4-diamine Traditional Name: [5-(3-aminopyrrolidino)-6-chloro-2-pyridyl]-[4-(cyclopentylamino)-5-nitro-pyrimidin-2-yl]amine Formula: C18H23ClN8O2 MolecularWeight: 418.88062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=NC(=C(C=C3)N4CCC(C4)N)Cl

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=NC(=C(C=C3)N4CCC(C4)N)Cl

InChI

InChI=1S/C18H23ClN8O2/c19-16-13(26-8-7-11(20)10-26)5-6-15(23-16)24-18-21-9-14(27(28)29)17(25-18)22-12-3-1-2-4-12/h5-6,9,11-12H,1-4,7-8,10,20H2,(H2,21,22,23,24,25)