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

Systemtic Name: N2-[5-(3-azanylpyrrolidin-1-yl)pyridin-2-yl]-N4-cyclopentyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[5-(3-aminopyrrolidin-1-yl)-2-pyridyl]-N4-cyclopentyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[5-(3-amino-1-pyrrolidinyl)-2-pyridinyl]-N4-cyclopentyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[5-(3-aminopyrrolidin-1-yl)pyridin-2-yl]-4-N-cyclopentyl-5-nitropyrimidine-2,4-diamine Traditional Name: [5-(3-aminopyrrolidino)-2-pyridyl]-[4-(cyclopentylamino)-5-nitro-pyrimidin-2-yl]amine Formula: C18H24N8O2 MolecularWeight: 384.43556

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N8O2/c19-12-7-8-25(11-12)14-5-6-16(20-9-14)23-18-21-10-15(26(27)28)17(24-18)22-13-3-1-2-4-13/h5-6,9-10,12-13H,1-4,7-8,11,19H2,(H2,20,21,22,23,24)