6-[4-(3-chlorophenyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C30H47ClN6O2 MolecularWeight: 559.18618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C30H47ClN6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-32-29-28(37(38)39)30(34-25-33-29)36-22-20-35(21-23-36)27-18-16-17-26(31)24-27/h16-18,24-25H,2-15,19-23H2,1H3,(H,32,33,34)