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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(1-phenylpyrazol-4-yl)ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(1-phenylpyrazol-4-yl)acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-(1-phenyl-4-pyrazolyl)acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-phenylpyrazol-4-yl)acetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(1-phenylpyrazol-4-yl)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=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

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