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

Systemtic Name: N-[6-azanyl-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3CCCC3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC3CCCC3)N

InChI

InChI=1S/C20H25N5O4S/c1-2-29-14-9-7-12(8-10-14)18(27)23-16-17(21)24-20(25-19(16)28)30-11-15(26)22-13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,22,26)(H,23,27)(H3,21,24,25,28)