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

Systemtic Name: 2-[4-[3-(dimethylaminomethyl)phenyl]butylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[4-[3-(dimethylaminomethyl)phenyl]butylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[4-[3-(dimethylaminomethyl)phenyl]butylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[4-[3-(dimethylaminomethyl)phenyl]butylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[4-[3-(dimethylaminomethyl)phenyl]butylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC(=C1)CCCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

CN(C)CC1=CC=CC(=C1)CCCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C23H29N5O/c1-28(2)17-20-9-5-8-18(13-20)7-3-4-12-25-23-26-16-21(22(29)27-23)14-19-10-6-11-24-15-19/h5-6,8-11,13,15-16H,3-4,7,12,14,17H2,1-2H3,(H2,25,26,27,29)