5-(4-isothiocyanatophenyl)-2-pentyl-pyrimidine

Systemtic Name: 5-(4-isothiocyanatophenyl)-2-pentyl-pyrimidine Openeye Name: 5-(4-isothiocyanatophenyl)-2-pentyl-pyrimidine CAS Name: 5-(4-isothiocyanatophenyl)-2-pentylpyrimidine IUPAC Name: 5-(4-isothiocyanatophenyl)-2-pentylpyrimidine Traditional Name: 2-amyl-5-(4-isothiocyanatophenyl)pyrimidine Formula: C16H17N3S MolecularWeight: 283.39128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C16H17N3S/c1-2-3-4-5-16-17-10-14(11-18-16)13-6-8-15(9-7-13)19-12-20/h6-11H,2-5H2,1H3