N-(1-carbamimidoyl-2-ethoxy-piperidin-3-yl)-2-[6-oxidanylidene-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]ethanamide

Systemtic Name: N-(1-carbamimidoyl-2-ethoxy-piperidin-3-yl)-2-[6-oxidanylidene-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]ethanamide Openeye Name: 2-[5-(benzylsulfonylamino)-6-oxo-pyrimidin-1-yl]-N-(1-carbamimidoyl-2-ethoxy-3-piperidyl)acetamide CAS Name: N-(1-carbamimidoyl-2-ethoxy-3-piperidinyl)-2-[6-oxo-5-[(phenylmethyl)sulfonylamino]-1-pyrimidinyl]acetamide IUPAC Name: 2-[5-(benzylsulfonylamino)-6-oxopyrimidin-1-yl]-N-(1-carbamimidoyl-2-ethoxypiperidin-3-yl)acetamide Traditional Name: N-(1-amidino-2-ethoxy-3-piperidyl)-2-[5-(benzylsulfonylamino)-6-keto-pyrimidin-1-yl]acetamide Formula: C21H29N7O5S MolecularWeight: 491.56386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CCCN1C(=N)N)NC(=O)CN2C=NC=C(C2=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC1C(CCCN1C(=N)N)NC(=O)CN2C=NC=C(C2=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N7O5S/c1-2-33-20-16(9-6-10-28(20)21(22)23)25-18(29)12-27-14-24-11-17(19(27)30)26-34(31,32)13-15-7-4-3-5-8-15/h3-5,7-8,11,14,16,20,26H,2,6,9-10,12-13H2,1H3,(H3,22,23)(H,25,29)