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

Systemtic Name: N-(4-butylphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N6O3/c1-3-4-5-19-6-8-20(9-7-19)28-24-23(31(32)33)25(27-18-26-24)30-16-14-29(15-17-30)21-10-12-22(34-2)13-11-21/h6-13,18H,3-5,14-17H2,1-2H3,(H,26,27,28)