5-[(4-butoxyphenyl)methyl]-4-chloranyl-2-methylsulfanyl-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 5-[(4-butoxyphenyl)methyl]-4-chloranyl-2-methylsulfanyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 5-[(4-butoxyphenyl)methyl]-4-chloro-2-methylsulfanyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 5-[(4-butoxyphenyl)methyl]-4-chloro-2-(methylthio)-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 5-[(4-butoxyphenyl)methyl]-4-chloro-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 5-(4-butoxybenzyl)-4-chloro-2-(methylthio)-6-pyrrolidino-pyrimidine Formula: C20H26ClN3OS MolecularWeight: 391.95794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N3CCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N3CCCC3

InChI

InChI=1S/C20H26ClN3OS/c1-3-4-13-25-16-9-7-15(8-10-16)14-17-18(21)22-20(26-2)23-19(17)24-11-5-6-12-24/h7-10H,3-6,11-14H2,1-2H3