4-[(2,5-dimethylphenyl)methylsulfanyl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[(2,5-dimethylphenyl)methylthio]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[(2,5-dimethylbenzyl)thio]-6-pyrrolidino-pyrimidine Formula: C17H21N3S MolecularWeight: 299.43374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C17H21N3S/c1-13-5-6-14(2)15(9-13)11-21-17-10-16(18-12-19-17)20-7-3-4-8-20/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3