2-[3-[(5-bromanylpyridin-2-yl)amino]propylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one hydrate

Systemtic Name: 2-[3-[(5-bromanylpyridin-2-yl)amino]propylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one hydrate Openeye Name: 2-[3-[(5-bromo-2-pyridyl)amino]propylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one hydrate CAS Name: 2-[3-[(5-bromo-2-pyridinyl)amino]propylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one hydrate IUPAC Name: 2-[3-[(5-bromopyridin-2-yl)amino]propylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one hydrate Traditional Name: 2-[3-[(5-bromo-2-pyridyl)amino]propylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one hydrate Formula: C19H23BrN6O2 MolecularWeight: 447.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCNC3=NC=C(C=C3)Br.O

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCNC3=NC=C(C=C3)Br.O

InChI

InChI=1S/C19H21BrN6O.H2O/c1-13-3-4-14(10-23-13)9-15-11-25-19(26-18(15)27)22-8-2-7-21-17-6-5-16(20)12-24-17;/h3-6,10-12H,2,7-9H2,1H3,(H,21,24)(H2,22,25,26,27);1H2