N-(4-chlorophenyl)-4-(3-methyl-3,8-diazaspiro[4.4]nonan-8-yl)-5-nitro-pyrimidin-2-amine

Systemtic Name: N-(4-chlorophenyl)-4-(3-methyl-3,8-diazaspiro[4.4]nonan-8-yl)-5-nitro-pyrimidin-2-amine Openeye Name: N-(4-chlorophenyl)-4-(3-methyl-3,8-diazaspiro[4.4]nonan-8-yl)-5-nitro-pyrimidin-2-amine CAS Name: N-(4-chlorophenyl)-4-(3-methyl-3,8-diazaspiro[4.4]nonan-8-yl)-5-nitro-2-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-4-(3-methyl-3,8-diazaspiro[4.4]nonan-8-yl)-5-nitropyrimidin-2-amine Traditional Name: (4-chlorophenyl)-[4-(3-methyl-3,8-diazaspiro[4.4]nonan-8-yl)-5-nitro-pyrimidin-2-yl]amine Formula: C18H21ClN6O2 MolecularWeight: 388.85134

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2(C1)CCN(C2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCC2(C1)CCN(C2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H21ClN6O2/c1-23-8-6-18(11-23)7-9-24(12-18)16-15(25(26)27)10-20-17(22-16)21-14-4-2-13(19)3-5-14/h2-5,10H,6-9,11-12H2,1H3,(H,20,21,22)