3-[3-[(2-azanylpyridin-4-yl)methyl]-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile

Systemtic Name: 3-[3-[(2-azanylpyridin-4-yl)methyl]-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile Openeye Name: 3-[3-[(2-amino-4-pyridyl)methyl]-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile CAS Name: 3-[[3-[(2-amino-4-pyridinyl)methyl]-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]-5-methylbenzonitrile IUPAC Name: 3-[3-[(2-aminopyridin-4-yl)methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylbenzonitrile Traditional Name: 3-[3-[(2-amino-4-pyridyl)methyl]-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)N)C(C)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)N)C(C)C)C#N

InChI

InChI=1S/C22H21N5O3/c1-12(2)18-19(20(28)16-7-13(3)6-15(8-16)10-23)27(22(30)26-21(18)29)11-14-4-5-25-17(24)9-14/h4-9,12H,11H2,1-3H3,(H2,24,25)(H,26,29,30)