2-[4-(2-aminophenyl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[4-(2-aminophenyl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[4-(2-aminophenyl)butylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[4-(2-aminophenyl)butylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[4-(2-aminophenyl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[4-(2-aminophenyl)butylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=CC=CC=C3N

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=CC=CC=C3N

InChI

InChI=1S/C21H25N5O/c1-15-9-10-16(13-24-15)12-18-14-25-21(26-20(18)27)23-11-5-4-7-17-6-2-3-8-19(17)22/h2-3,6,8-10,13-14H,4-5,7,11-12,22H2,1H3,(H2,23,25,26,27)