(1S)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(phenylmethyl)cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(phenylmethyl)cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(phenylmethyl)-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-cyclohex-3-ene-1-carboxamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3CCC=CC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)[C@H]3CCC=CC3)N

InChI

InChI=1S/C22H28N4O3/c1-2-3-14-25-19(23)18(20(27)24-22(25)29)26(15-16-10-6-4-7-11-16)21(28)17-12-8-5-9-13-17/h4-8,10-11,17H,2-3,9,12-15,23H2,1H3,(H,24,27,29)/t17-/m1/s1