N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxy-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-2-[[2-(isopropylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC(C)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC(C)C)N

InChI

InChI=1S/C18H23N5O4S/c1-4-27-12-7-5-11(6-8-12)16(25)21-14-15(19)22-18(23-17(14)26)28-9-13(24)20-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,20,24)(H,21,25)(H3,19,22,23,26)