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

Systemtic Name: N-hexadecyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-hexadecyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-hexadecyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C31H50N6O3 MolecularWeight: 554.7671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H50N6O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32-30-29(37(38)39)31(34-26-33-30)36-24-22-35(23-25-36)27-17-19-28(40-2)20-18-27/h17-20,26H,3-16,21-25H2,1-2H3,(H,32,33,34)