4-[[[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-cyclopropyl-amino]methyl]benzamide

Systemtic Name: 4-[[[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-cyclopropyl-amino]methyl]benzamide Openeye Name: 4-[[[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)-2-oxo-ethyl]-cyclopropyl-amino]methyl]benzamide CAS Name: 4-[[[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl]-cyclopropylamino]methyl]benzamide IUPAC Name: 4-[[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-cyclopropylamino]methyl]benzamide Traditional Name: 4-[[[2-(4-amino-2,6-diketo-1-methyl-3-propyl-pyrimidin-5-yl)-2-keto-ethyl]-cyclopropyl-amino]methyl]benzamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CN(CC2=CC=C(C=C2)C(=O)N)C3CC3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CN(CC2=CC=C(C=C2)C(=O)N)C3CC3)N

InChI

InChI=1S/C21H27N5O4/c1-3-10-26-18(22)17(20(29)24(2)21(26)30)16(27)12-25(15-8-9-15)11-13-4-6-14(7-5-13)19(23)28/h4-7,15H,3,8-12,22H2,1-2H3,(H2,23,28)