2-[4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenyl]-6-ethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenyl]-6-ethyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[[cyclopropyl(3-thienylmethyl)amino]methyl]phenyl]-6-ethyl-1H-pyrimidin-4-one CAS Name: 2-[4-[[cyclopropyl(3-thiophenylmethyl)amino]methyl]phenyl]-6-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenyl]-6-ethyl-1H-pyrimidin-4-one Traditional Name: 2-[4-[[cyclopropyl(3-thenyl)amino]methyl]phenyl]-6-ethyl-1H-pyrimidin-4-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN(CC3=CSC=C3)C4CC4

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN(CC3=CSC=C3)C4CC4

InChI

InChI=1S/C21H23N3OS/c1-2-18-11-20(25)23-21(22-18)17-5-3-15(4-6-17)12-24(19-7-8-19)13-16-9-10-26-14-16/h3-6,9-11,14,19H,2,7-8,12-13H2,1H3,(H,22,23,25)