4-[2-[5,5-bis(4-nitrophenyl)pent-4-enyl]pyrimidin-5-yl]butan-1-amine

Systemtic Name: 4-[2-[5,5-bis(4-nitrophenyl)pent-4-enyl]pyrimidin-5-yl]butan-1-amine Openeye Name: 4-[2-[5,5-bis(4-nitrophenyl)pent-4-enyl]pyrimidin-5-yl]butan-1-amine CAS Name: 4-[2-[5,5-bis(4-nitrophenyl)pent-4-enyl]-5-pyrimidinyl]-1-butanamine IUPAC Name: 4-[2-[5,5-bis(4-nitrophenyl)pent-4-enyl]pyrimidin-5-yl]butan-1-amine Traditional Name: 4-[2-[5,5-bis(4-nitrophenyl)pent-4-enyl]pyrimidin-5-yl]butylamine Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=CCCCC2=NC=C(C=N2)CCCCN)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=CCCCC2=NC=C(C=N2)CCCCN)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O4/c26-16-4-3-5-19-17-27-25(28-18-19)7-2-1-6-24(20-8-12-22(13-9-20)29(31)32)21-10-14-23(15-11-21)30(33)34/h6,8-15,17-18H,1-5,7,16,26H2