N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-[(2-chlorophenyl)methyl]-N-ethyl-pyrazole-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-[(2-chlorophenyl)methyl]-N-ethyl-pyrazole-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-[(2-chlorophenyl)methyl]-N-ethyl-pyrazole-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-4-pyrazolecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(2-chlorophenyl)methyl]-N-ethylpyrazole-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-(2-chlorobenzyl)-N-ethyl-pyrazole-4-carboxamide Formula: C21H25ClN6O3 MolecularWeight: 444.9146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl)N

InChI

InChI=1S/C21H25ClN6O3/c1-3-5-10-28-18(23)17(19(29)25-21(28)31)27(4-2)20(30)15-11-24-26(13-15)12-14-8-6-7-9-16(14)22/h6-9,11,13H,3-5,10,12,23H2,1-2H3,(H,25,29,31)