N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(4-pyrazol-1-ylphenyl)ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(4-pyrazol-1-ylphenyl)ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(4-pyrazol-1-ylphenyl)acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-[4-(1-pyrazolyl)phenyl]acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-pyrazol-1-ylphenyl)acetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(4-pyrazol-1-ylphenyl)acetamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C22H28N6O3/c1-3-5-13-26(19-20(23)27(12-4-2)22(31)25-21(19)30)18(29)15-16-7-9-17(10-8-16)28-14-6-11-24-28/h6-11,14H,3-5,12-13,15,23H2,1-2H3,(H,25,30,31)