ethyl 2-[[6-azanyl-5-[(4-methoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-2-methyl-propanoate

Systemtic Name: ethyl 2-[[6-azanyl-5-[(4-methoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[6-amino-5-[(4-methoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[6-amino-5-[[(4-methoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-[(4-methoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[6-amino-4-keto-5-(p-anisoylamino)-1H-pyrimidin-2-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22N4O5S/c1-5-27-16(25)18(2,3)28-17-21-13(19)12(15(24)22-17)20-14(23)10-6-8-11(26-4)9-7-10/h6-9H,5H2,1-4H3,(H,20,23)(H3,19,21,22,24)