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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-3-(2-phenylethanoylamino)propanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-3-[(2-phenylacetyl)amino]propanamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-3-[(1-oxo-2-phenylethyl)amino]propanamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(2-phenylacetyl)amino]propanamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-3-[(2-phenylacetyl)amino]propionamide Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4/c1-3-5-14-26(19-20(23)27(13-4-2)22(31)25-21(19)30)18(29)11-12-24-17(28)15-16-9-7-6-8-10-16/h6-10H,3-5,11-15,23H2,1-2H3,(H,24,28)(H,25,30,31)