N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-1-(4-fluorophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-1-(4-fluorophenyl)pyrazole-3-carboxamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-1-(4-fluorophenyl)pyrazole-3-carboxamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-1-(4-fluorophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(4-fluorophenyl)pyrazole-3-carboxamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-1-(4-fluorophenyl)pyrazole-3-carboxamide Formula: C21H25FN6O3 MolecularWeight: 428.460003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=NN(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=NN(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN6O3/c1-3-5-12-26(17-18(23)27(11-4-2)21(31)24-19(17)29)20(30)16-10-13-28(25-16)15-8-6-14(22)7-9-15/h6-10,13H,3-5,11-12,23H2,1-2H3,(H,24,29,31)