6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-morpholinoethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-[2-(4-morpholinyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C22H31N7O3 MolecularWeight: 441.52664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-])C

InChI

InChI=1S/C22H31N7O3/c1-17-4-3-5-19(18(17)2)27-8-10-28(11-9-27)22-20(29(30)31)21(24-16-25-22)23-6-7-26-12-14-32-15-13-26/h3-5,16H,6-15H2,1-2H3,(H,23,24,25)