N4-(2-methylquinolin-5-yl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylquinolin-5-yl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-5-quinolyl)-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(2-methyl-5-quinolinyl)-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCCN4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCCN4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N7O2/c1-15-8-9-16-17(25-15)6-5-7-18(16)26-21-19(28(29)30)20(23-14-24-21)22-10-13-27-11-3-2-4-12-27/h5-9,14H,2-4,10-13H2,1H3,(H2,22,23,24,26)