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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CCNC(=O)CC2=CC=CC=C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CCNC(=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C22H31N5O4/c1-3-5-14-27-20(23)19(21(30)25-22(27)31)26(13-4-2)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)