N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(2-methoxyethyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-1-mesyl-N-(2-methoxyethyl)nipecotamide Formula: C21H29N5O6S MolecularWeight: 479.54986

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C21H29N5O6S/c1-32-12-11-25(20(28)16-9-6-10-24(14-16)33(2,30)31)17-18(22)26(21(29)23-19(17)27)13-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14,22H2,1-2H3,(H,23,27,29)