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

Systemtic Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-[(2,5-dimethylphenyl)methylthio]-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-[(2,5-dimethylbenzyl)thio]-6-(4-phenylpiperazino)pyrimidine Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4S/c1-18-8-9-19(2)20(14-18)16-28-23-15-22(24-17-25-23)27-12-10-26(11-13-27)21-6-4-3-5-7-21/h3-9,14-15,17H,10-13,16H2,1-2H3