N-[4-[(2-methyl-2-methylsulfonyl-propanoyl)amino]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]pyrimidine-5-carboxamide; yttrium(3+)

Systemtic Name: N-[4-[(2-methyl-2-methylsulfonyl-propanoyl)amino]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]pyrimidine-5-carboxamide; yttrium(3+) Openeye Name: N-[4-[(2-methyl-2-methylsulfonyl-propanoyl)amino]-6-oxo-cyclohexa-1,4-dien-1-yl]pyrimidine-5-carboxamide; yttrium(3+) CAS Name: N-[4-[(2-methyl-2-methylsulfonyl-1-oxopropyl)amino]-6-oxo-1-cyclohexa-1,4-dienyl]-5-pyrimidinecarboxamide; yttrium(3+) IUPAC Name: N-[4-[(2-methyl-2-methylsulfonylpropanoyl)amino]-6-oxocyclohexa-1,4-dien-1-yl]pyrimidine-5-carboxamide; yttrium(3+) Traditional Name: N-[6-keto-4-[(2-mesyl-2-methyl-propanoyl)amino]cyclohexa-1,4-dien-1-yl]pyrimidine-5-carboxamide; yttrium(3+) Formula: C16H17N4O5SY+2 MolecularWeight: 466.30083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC(=O)C(=C[CH-]1)NC(=O)C2=CN=CN=C2)S(=O)(=O)C.[Y+3]

Isomeric SMILES

CC(C)(C(=O)NC1=CC(=O)C(=C[CH-]1)NC(=O)C2=CN=CN=C2)S(=O)(=O)C.[Y+3]

InChI

InChI=1S/C16H17N4O5S.Y/c1-16(2,26(3,24)25)15(23)19-11-4-5-12(13(21)6-11)20-14(22)10-7-17-9-18-8-10;/h4-9H,1-3H3,(H,19,23)(H,20,22);/q-1;+3