1,4-dioxane; 6-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one

Systemtic Name: 1,4-dioxane; 6-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 1,4-dioxane; 6-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 1,4-dioxane; 6-phenyl-2-[(4,6,8-trimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 1,4-dioxane; 6-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 1,4-dioxane; 6-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)C4=CC=CC=C4)C)C.C1COCCO1

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)C4=CC=CC=C4)C)C.C1COCCO1

InChI

InChI=1S/C21H19N5O.C4H8O2/c1-12-9-13(2)19-16(10-12)14(3)22-20(25-19)26-21-23-17(11-18(27)24-21)15-7-5-4-6-8-15;1-2-6-4-3-5-1/h4-11H,1-3H3,(H2,22,23,24,25,26,27);1-4H2