1-butyl-3-(3-cyanophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxamide

Systemtic Name: 1-butyl-3-(3-cyanophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxamide Openeye Name: 1-butyl-3-(3-cyanophenyl)-N-[(5-methylisoxazol-3-yl)methyl]-2,4-dioxo-pyrimidine-5-carboxamide CAS Name: 1-butyl-3-(3-cyanophenyl)-N-[(5-methyl-3-isoxazolyl)methyl]-2,4-dioxo-5-pyrimidinecarboxamide IUPAC Name: 1-butyl-3-(3-cyanophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidine-5-carboxamide Traditional Name: 1-butyl-3-(3-cyanophenyl)-2,4-diketo-N-[(5-methylisoxazol-3-yl)methyl]pyrimidine-5-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)C(=O)NCC3=NOC(=C3)C

Isomeric SMILES

CCCCN1C=C(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)C(=O)NCC3=NOC(=C3)C

InChI

InChI=1S/C21H21N5O4/c1-3-4-8-25-13-18(19(27)23-12-16-9-14(2)30-24-16)20(28)26(21(25)29)17-7-5-6-15(10-17)11-22/h5-7,9-10,13H,3-4,8,12H2,1-2H3,(H,23,27)