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

Systemtic Name: (2S)-N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(4-cyanophenoxy)propanamide Openeye Name: (2S)-N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(4-cyanophenoxy)propanamide CAS Name: (2S)-N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-(4-cyanophenoxy)propanamide IUPAC Name: (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-cyanophenoxy)propanamide Traditional Name: (2S)-N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(4-cyanophenoxy)propionamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H27N5O4/c1-4-6-12-25(17-18(23)26(11-5-2)21(29)24-19(17)27)20(28)14(3)30-16-9-7-15(13-22)8-10-16/h7-10,14H,4-6,11-12,23H2,1-3H3,(H,24,27,29)/t14-/m0/s1