2-[4-[5-(dimethylaminomethyl)thiophen-2-yl]butylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[4-[5-(dimethylaminomethyl)thiophen-2-yl]butylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[4-[5-(dimethylaminomethyl)-2-thienyl]butylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[4-[5-(dimethylaminomethyl)-2-thiophenyl]butylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[4-[5-(dimethylaminomethyl)thiophen-2-yl]butylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[4-[5-(dimethylaminomethyl)-2-thienyl]butylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(S1)CCCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

CN(C)CC1=CC=C(S1)CCCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C21H27N5OS/c1-26(2)15-19-9-8-18(28-19)7-3-4-11-23-21-24-14-17(20(27)25-21)12-16-6-5-10-22-13-16/h5-6,8-10,13-14H,3-4,7,11-12,15H2,1-2H3,(H2,23,24,25,27)