N-[1-(tert-butylamino)-1-oxidanylidene-hex-5-en-2-yl]-4-[[(6-heptan-3-yl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamoylamino]methyl]-N-prop-2-ynyl-benzamide

Systemtic Name: N-[1-(tert-butylamino)-1-oxidanylidene-hex-5-en-2-yl]-4-[[(6-heptan-3-yl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamoylamino]methyl]-N-prop-2-ynyl-benzamide Openeye Name: N-[1-(tert-butylcarbamoyl)pent-4-enyl]-4-[[[6-(1-ethylpentyl)-4-oxo-1H-pyrimidin-2-yl]carbamoylamino]methyl]-N-prop-2-ynyl-benzamide CAS Name: N-[1-(tert-butylamino)-1-oxohex-5-en-2-yl]-4-[[[[(6-heptan-3-yl-4-oxo-1H-pyrimidin-2-yl)amino]-oxomethyl]amino]methyl]-N-prop-2-ynylbenzamide IUPAC Name: N-[1-(tert-butylamino)-1-oxohex-5-en-2-yl]-4-[[(6-heptan-3-yl-4-oxo-1H-pyrimidin-2-yl)carbamoylamino]methyl]-N-prop-2-ynylbenzamide Traditional Name: N-[1-(tert-butylcarbamoyl)pent-4-enyl]-4-[[[6-(1-ethylpentyl)-4-keto-1H-pyrimidin-2-yl]carbamoylamino]methyl]-N-propargyl-benzamide Formula: C33H46N6O4 MolecularWeight: 590.75614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=CC(=O)N=C(N1)NC(=O)NCC2=CC=C(C=C2)C(=O)N(CC#C)C(CCC=C)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCC(CC)C1=CC(=O)N=C(N1)NC(=O)NCC2=CC=C(C=C2)C(=O)N(CC#C)C(CCC=C)C(=O)NC(C)(C)C

InChI

InChI=1S/C33H46N6O4/c1-8-12-14-24(11-4)26-21-28(40)36-31(35-26)37-32(43)34-22-23-16-18-25(19-17-23)30(42)39(20-10-3)27(15-13-9-2)29(41)38-33(5,6)7/h3,9,16-19,21,24,27H,2,8,11-15,20,22H2,1,4-7H3,(H,38,41)(H3,34,35,36,37,40,43)