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

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(4-phenylbutylamino)-1H-pyrimidin-6-one hydrate Openeye Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(4-phenylbutylamino)-1H-pyrimidin-6-one hydrate CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-(4-phenylbutylamino)-1H-pyrimidin-6-one hydrate IUPAC Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(4-phenylbutylamino)-1H-pyrimidin-6-one hydrate Traditional Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(4-phenylbutylamino)-1H-pyrimidin-6-one hydrate Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=CC=CC=C3.O

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=CC=CC=C3.O

InChI

InChI=1S/C21H24N4O.H2O/c1-16-10-11-18(14-23-16)13-19-15-24-21(25-20(19)26)22-12-6-5-9-17-7-3-2-4-8-17;/h2-4,7-8,10-11,14-15H,5-6,9,12-13H2,1H3,(H2,22,24,25,26);1H2