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

Systemtic Name: 3-[3-[(2-azanylpyridin-4-yl)methyl]-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-chloranyl-benzenecarbonitrile Openeye Name: 3-[3-[(2-amino-4-pyridyl)methyl]-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl]-5-chloro-benzonitrile CAS Name: 3-[[3-[(2-amino-4-pyridinyl)methyl]-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]-5-chlorobenzonitrile IUPAC Name: 3-[3-[(2-aminopyridin-4-yl)methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-chlorobenzonitrile Traditional Name: 3-[3-[(2-amino-4-pyridyl)methyl]-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl]-5-chloro-benzonitrile Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=O)NC1=O)CC2=CC(=NC=C2)N)C(=O)C3=CC(=CC(=C3)C#N)Cl

Isomeric SMILES

CC(C)C1=C(N(C(=O)NC1=O)CC2=CC(=NC=C2)N)C(=O)C3=CC(=CC(=C3)C#N)Cl

InChI

InChI=1S/C21H18ClN5O3/c1-11(2)17-18(19(28)14-5-13(9-23)6-15(22)8-14)27(21(30)26-20(17)29)10-12-3-4-25-16(24)7-12/h3-8,11H,10H2,1-2H3,(H2,24,25)(H,26,29,30)