N4-(2-methylquinolin-8-yl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylquinolin-8-yl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-8-quinolyl)-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(2-methyl-8-quinolinyl)-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylquinolin-8-yl)-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: (2-methyl-8-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=CC=C2NC3=C(C(=NC=N3)NCCN4CCCCC4)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NCCN4CCCCC4)[N+](=O)[O-])C=C1

InChI

InChI=1S/C21H25N7O2/c1-15-8-9-16-6-5-7-17(18(16)25-15)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)