6-[(E)-2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)pyrimidine-2,4-diamine

Systemtic Name: 6-[(E)-2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)pyrimidine-2,4-diamine Openeye Name: 6-[(E)-2-(4-nitrophenyl)vinyl]-5-(4-phenylbutyl)pyrimidine-2,4-diamine CAS Name: 6-[(E)-2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)pyrimidine-2,4-diamine IUPAC Name: 6-[(E)-2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-[(E)-2-(4-nitrophenyl)vinyl]-5-(4-phenylbutyl)pyrimidin-4-yl]amine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O2/c23-21-19(9-5-4-8-16-6-2-1-3-7-16)20(25-22(24)26-21)15-12-17-10-13-18(14-11-17)27(28)29/h1-3,6-7,10-15H,4-5,8-9H2,(H4,23,24,25,26)/b15-12+