N-[6-azanyl-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]furan-2-carboxamide

Systemtic Name: N-[6-azanyl-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]furan-2-carboxamide Openeye Name: N-[6-amino-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide CAS Name: N-[6-amino-2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-2-furancarboxamide IUPAC Name: N-[6-amino-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide Traditional Name: N-[6-amino-2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-2-furamide Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C21H23N5O6S/c1-30-13-6-5-12(10-15(13)31-2)7-8-23-16(27)11-33-21-25-18(22)17(20(29)26-21)24-19(28)14-4-3-9-32-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,27)(H,24,28)(H3,22,25,26,29)