2-[5-(3-azanyl-5-methyl-pyridin-2-yl)pentylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[5-(3-azanyl-5-methyl-pyridin-2-yl)pentylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[5-(3-amino-5-methyl-2-pyridyl)pentylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[5-(3-amino-5-methyl-2-pyridinyl)pentylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[5-(3-amino-5-methylpyridin-2-yl)pentylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[5-(3-amino-5-methyl-2-pyridyl)pentylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCCC3=C(C=C(C=N3)C)N

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCCC3=C(C=C(C=N3)C)N

InChI

InChI=1S/C22H28N6O/c1-15-10-19(23)20(26-12-15)6-4-3-5-9-24-22-27-14-18(21(29)28-22)11-17-8-7-16(2)25-13-17/h7-8,10,12-14H,3-6,9,11,23H2,1-2H3,(H2,24,27,28,29)