2-phenyl-4-propylsulfanyl-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 2-phenyl-4-propylsulfanyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 2-phenyl-4-propylsulfanyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 2-phenyl-4-(propylthio)-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 2-phenyl-4-propylsulfanyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 2-phenyl-4-(propylthio)-6-pyrrolidino-pyrimidine Formula: C17H21N3S MolecularWeight: 299.43374

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC(=C1)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=NC(=NC(=C1)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3S/c1-2-12-21-16-13-15(20-10-6-7-11-20)18-17(19-16)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3